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CITRONELLOL

CAS No.: 26489-01-0
Formula: C10H20O
Molecular Weight: 156.27
Suppliers: All(0) China Suppliers(7) Products(23)
  • Description
  • Basic Info
  • Safety Info
  • MSDS
  • Price
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What is CITRONELLOL

3,7-Dimethyloct-6-en-1-ol is a naturally occurring organic compound belonging to the family of terpene alcohols. It is characterized by a fresh, floral, and slightly citrus-like aroma, making it a valuable ingredient in the fragrance and flavor industries. This compound is commonly found in essential oils and is used as a key component in perfumes, cosmetics, and personal care products to impart a pleasant, natural scent. Its chemical structure features a double bond and a hydroxyl group, contributing to its reactivity and versatility in various applications. Additionally, 3,7-dimethyloct-6-en-1-ol is utilized in the synthesis of other fine chemicals, showcasing its importance in both industrial and research settings.

Preparation Process: To prepare **3,7-dimethyloct-6-en-1-ol**, follow these steps: 1. **Starting Material**: Begin with **citronellal**, a natural monoterpene aldehyde. 2. **Reduction**: Reduce citronellal using **sodium borohydride (NaBH4)** in methanol at 0–25°C to yield **citronellol** (3,7-dimethyloct-6-en-1-ol). 3. **Workup**: Quench the reaction with water, extract with diethyl ether, and dry over anhydrous **MgSO4**. 4. **Purification**: Purify via **vacuum distillation** to isolate the product. Alternatively, **hydrogenation of citronellal** over a **Pd/C catalyst** can also yield the target alcohol. Ensure inert conditions (N₂/Ar) to avoid side reactions.

Usage Scenarios: 3,7-Dimethyloct-6-en-1-ol, commonly known as citronellol, is a naturally occurring monoterpenoid alcohol widely used in the fragrance and flavor industries. Its pleasant, floral, and citrus-like aroma makes it a key ingredient in perfumes, soaps, lotions, and cosmetics. It also serves as a flavoring agent in food and beverages. Additionally, citronellol exhibits insect-repellent properties, making it useful in mosquito repellents and essential oil blends. In aromatherapy, it is valued for its calming and stress-relieving effects. The compound is also studied for potential antimicrobial and anti-inflammatory applications in pharmaceuticals. Its versatility and natural origin enhance its appeal in various commercial and therapeutic products.

CITRONELLOL Basic Info
Chemical Name CITRONELLOL
Synonyms FEMA 2307;FEMA 2309;CITRONELLOL AJ;CITRONELLOL 96;CITRONELLOL 80;DL-CITRONELLOL;DL-B-CITRONELLOL;CITRONELLOL PRIME;CITRONELLOL EXTRA;CITRONELLOL 90/92
CAS No. 26489-01-0
Molecular Formula C10H20O
Molecular Weight 156.27
PSA 20.23000
LogP 2.75130
Safely Info
RTECS RH3400000
Hazard Class -
Safety Statements 26-36
HS Code 2905222000
WGK Germany -
Packing Group -
RIDADR -
Risk Statements 36/37/38
Hazard Codes Xi
Caution Statement P264-P280-P302+P352-P321-P332+P313-P362-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Hazard Declaration H315-H317
Symbol GHS07
Signal Word Warning
CITRONELLOL Price
United States: $50-$100
China: $30-$60
Russia: $40-$80
Germany: $50-$100
India: $20-$40
Japan: $60-$120
Brazil: $30-$60
South Korea: $40-$80
Philippines: $25-$50
United Kingdom: $50-$100
France: $60-$120
Mexico: $30-$60
Canada: $50-$100
South Africa: $20-$40
Egypt: $25-$50
Turkey: $30-$60
Thailand: $30-$60
Indonesia: No results
MSDS
SDS 1.0
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SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name 3,7-dimethyloct-6-en-1-ol

1.2 Other means of identification

Product number -
Other names 6-Octen-1-ol,3,7-dimethyl

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Fragrances
Uses advised against no data available

1.4 Supplier's details

Company MOLBASE (Shanghai) Biotechnology Co., Ltd.
Address Floor 4 & 5, Building 12, No. 1001 North Qinzhou Road,
Xuhui District, Shanghai, China
Telephone +86(21)64956998
Fax +86(21)54365166

1.5 Emergency phone number

Emergency phone number +86-400-6021-666
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Skin sensitization, Category 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H315 Causes skin irritation

H317 May cause an allergic skin reaction

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P272 Contaminated work clothing should not be allowed out of the workplace.

Response

P302+P352 IF ON SKIN: Wash with plenty of water/...

P321 Specific treatment (see ... on this label).

P332+P313 If skin irritation occurs: Get medical advice/attention.

P362+P364 Take off contaminated clothing and wash it before reuse.

P333+P313 If skin irritation or rash occurs: Get medical advice/attention.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

3.Composition/information on ingredients

3.1 Substances

Chemical name Common names and synonyms CAS number EC number Concentration
3,7-dimethyloct-6-en-1-ol 3,7-dimethyloct-6-en-1-ol 26489-01-0 none 100%

4.First-aid measures

4.1 Description of necessary first-aid measures

General advice

Consult a physician. Show this safety data sheet to the doctor in attendance.

If inhaled

If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.

In case of skin contact

Wash off with soap and plenty of water. Consult a physician.

In case of eye contact

Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.

If swallowed

Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.

4.2 Most important symptoms/effects, acute and delayed

no data available

4.3 Indication of immediate medical attention and special treatment needed, if necessary

/SRP:/ Immediate first aid: Ensure that adequate decontamination has been carried out. If patient is not breathing, start artificial respiration, preferably with a demand-valve resuscitator, bag-valve-mask device, or pocket mask, as trained. Perform CPR as necessary. Immediately flush contaminated eyes with gently flowing water. Do not induce vomiting. If vomiting occurs, lean patient forward or place on left side (head-down position, if possible) to maintain an open airway and prevent aspiration. Keep patient quiet and maintain normal body temperature. Obtain medical attention. /Higher alcohols (>3 carbons) and related compounds/

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

Wear self-contained breathing apparatus for firefighting if necessary.

5.2 Specific hazards arising from the chemical

no data available

5.3 Special protective actions for fire-fighters

Wear self-contained breathing apparatus for firefighting if necessary.

6.Accidental release measures

6.1 Personal precautions, protective equipment and emergency procedures

Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust. For personal protection see section 8.

6.2 Environmental precautions

Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided.

6.3 Methods and materials for containment and cleaning up

ACCIDENTAL RELEASE MEASURES Personal precautions, protective equipment and emergency procedures Use personal protective equipment. Avoid breathing vapors, mist or gas. Ensure adequate ventilation. Environmental precautions Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided. Methods and materials for containment and cleaning up Soak up with inert absorbent material and dispose of as hazardous waste. Keep in suitable, closed containers for disposal.

7.Handling and storage

7.1 Precautions for safe handling

Avoid contact with skin and eyes. Avoid formation of dust and aerosols. Avoid exposure - obtain special instructions before use.Provide appropriate exhaust ventilation at places where dust is formed. For precautions see section 2.2.

7.2 Conditions for safe storage, including any incompatibilities

Keep container tightly closed in a dry and well-ventilated place.

8.Exposure controls/personal protection

8.1 Control parameters

Occupational Exposure limit values

no data available

Biological limit values

no data available

8.2 Appropriate engineering controls

Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday.

8.3 Individual protection measures, such as personal protective equipment (PPE)

Eye/face protection

Safety glasses with side-shields conforming to EN166. Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).

Skin protection

Wear impervious clothing. The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace. Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique(without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands. The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the standard EN 374 derived from it.

Respiratory protection

Wear dust mask when handling large quantities.

Thermal hazards

no data available

9.Physical and chemical properties

Physical state Liquid
Colour Colorless oily liquid
Odour Fresh rosy odor
Melting point/ freezing point 77-83ºC(lit.)
Boiling point or initial boiling point and boiling range 225ºC(lit.)
Flammability no data available
Lower and upper explosion limit / flammability limit no data available
Flash point 98.33°C
Auto-ignition temperature no data available
Decomposition temperature no data available
pH no data available
Kinematic viscosity 11.1 mPa s (dynamic) at 20°C; 5.33 mPa s (dynamic) at 40°C
Solubility In water, 200 mg/L at 25°C
Partition coefficient n-octanol/water (log value) log Kow = 3.91
Vapour pressure 0.0183mmHg at 25°C
Density and/or relative density 0.857 g/mL at 25ºC(lit.)
Relative vapour density no data available
Particle characteristics no data available

10.Stability and reactivity

10.1 Reactivity

no data available

10.2 Chemical stability

Stable under recommended storage conditions.

10.3 Possibility of hazardous reactions

no data available

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

Strong oxidizing agents

10.6 Hazardous decomposition products

Carbon oxides

11.Toxicological information

Acute toxicity

  • Oral: LD50 Rats oral 3.45 g/kg
  • Inhalation: no data available
  • Dermal: no data available

Skin corrosion/irritation

no data available

Serious eye damage/irritation

no data available

Respiratory or skin sensitization

no data available

Germ cell mutagenicity

no data available

Carcinogenicity

no data available

Reproductive toxicity

no data available

STOT-single exposure

no data available

STOT-repeated exposure

no data available

Aspiration hazard

no data available

12.Ecological information

12.1 Toxicity

  • Toxicity to fish: no data available
  • Toxicity to daphnia and other aquatic invertebrates: no data available
  • Toxicity to algae: no data available
  • Toxicity to microorganisms: no data available

12.2 Persistence and degradability

AEROBIC: Citronellol, present at 85 mg/L, reached 80-90% of its theoretical BOD in 4 weeks using an activated sludge inoculum in a screening test comparable to OECD 301F (manometric respirometry) which classified the compound as readily biodegradable(1). Citronellol, present at 218 mg/L, reached 61% of its Theoretical BOD in 5 days using an activated sludge inoculum in a BOD5 method test(1). Citronellol, present at 108 mg/L, reached 65% of its theoretical BOD in 4 weeks using an activated sludge inoculum in the OECD 301C test(modified MITI) which classified the compound as readily biodegradable(2). Citronellol was also found to be readily biodegradable (100% at 15 days) in a DOC Method F test(2). Bacteria isolated from soil (Pseudomonas mendocina) efficiently used citronellol as sole source of carbon(3).

12.3 Bioaccumulative potential

An estimated BCF of 177 was calculated in fish for citronellol(SRC), using a log Kow of 3.91(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is high(SRC), provided the compound is not metabolized by the organism(SRC).

12.4 Mobility in soil

Using a structure estimation method based on molecular connectivity indices(1), the Koc of citronellol can be estimated to be 94(SRC). According to a classification scheme(2), this estimated Koc value suggests that citronellol is expected to have high mobility in soil.

12.5 Other adverse effects

no data available

13.Disposal considerations

13.1 Disposal methods

Product

The material can be disposed of by removal to a licensed chemical destruction plant or by controlled incineration with flue gas scrubbing. Do not contaminate water, foodstuffs, feed or seed by storage or disposal. Do not discharge to sewer systems.

Contaminated packaging

Containers can be triply rinsed (or equivalent) and offered for recycling or reconditioning. Alternatively, the packaging can be punctured to make it unusable for other purposes and then be disposed of in a sanitary landfill. Controlled incineration with flue gas scrubbing is possible for combustible packaging materials.

14.Transport information

14.1 UN Number

ADR/RID: no data available IMDG: no data available IATA: no data available

14.2 UN Proper Shipping Name

ADR/RID: no data available
IMDG: no data available
IATA: no data available

14.3 Transport hazard class(es)

ADR/RID: no data available IMDG: no data available IATA: no data available

14.4 Packing group, if applicable

ADR/RID: no data available IMDG: no data available IATA: no data available

14.5 Environmental hazards

ADR/RID: no IMDG: no IATA: no

14.6 Special precautions for user

no data available

14.7 Transport in bulk according to Annex II of MARPOL 73/78 and the IBC Code

no data available

15.Regulatory information

15.1 Safety, health and environmental regulations specific for the product in question

Chemical name Common names and synonyms CAS number EC number
3,7-dimethyloct-6-en-1-ol 3,7-dimethyloct-6-en-1-ol 26489-01-0 none
European Inventory of Existing Commercial Chemical Substances (EINECS) Listed.
EC Inventory Listed.
United States Toxic Substances Control Act (TSCA) Inventory Not Listed.
China Catalog of Hazardous chemicals 2015 Not Listed.
New Zealand Inventory of Chemicals (NZIoC) Not Listed.
Philippines Inventory of Chemicals and Chemical Substances (PICCS) Not Listed.
Vietnam National Chemical Inventory Listed.
Chinese Chemical Inventory of Existing Chemical Substances (China IECSC) Listed.

16.Other information

Information on revision

Creation Date Aug 16, 2017
Revision Date Aug 16, 2017

Abbreviations and acronyms

  • CAS: Chemical Abstracts Service
  • ADR: European Agreement concerning the International Carriage of Dangerous Goods by Road
  • RID: Regulation concerning the International Carriage of Dangerous Goods by Rail
  • IMDG: International Maritime Dangerous Goods
  • IATA: International Air Transportation Association
  • TWA: Time Weighted Average
  • STEL: Short term exposure limit
  • LC50: Lethal Concentration 50%
  • LD50: Lethal Dose 50%
  • EC50: Effective Concentration 50%

References

  • IPCS - The International Chemical Safety Cards (ICSC), website: http://www.ilo.org/dyn/icsc/showcard.home
  • HSDB - Hazardous Substances Data Bank, website: https://toxnet.nlm.nih.gov/newtoxnet/hsdb.htm
  • IARC - International Agency for Research on Cancer, website: http://www.iarc.fr/
  • eChemPortal - The Global Portal to Information on Chemical Substances by OECD, website: http://www.echemportal.org/echemportal/index?pageID=0&request_locale=en
  • CAMEO Chemicals, website: http://cameochemicals.noaa.gov/search/simple
  • ChemIDplus, website: http://chem.sis.nlm.nih.gov/chemidplus/chemidlite.jsp
  • ERG - Emergency Response Guidebook by U.S. Department of Transportation, website: http://www.phmsa.dot.gov/hazmat/library/erg
  • Germany GESTIS-database on hazard substance, website: http://www.dguv.de/ifa/gestis/gestis-stoffdatenbank/index-2.jsp
  • ECHA - European Chemicals Agency, website: https://echa.europa.eu/

Disclaimer: The above information is believed to be correct but does not purport to be all inclusive and shall be used only as a guide. The information in this document is based on the present state of our knowledge and is applicable to the product with regard to appropriate safety precautions. It does not represent any guarantee of the properties of the product. We as supplier shall not be held liable for any damage resulting from handling or from contact with the above product.
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