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Hexanal

CAS No.: 66-25-1
Formula: C6H12O
Molecular Weight: 100.16
Suppliers: All(0) China Suppliers(4) Products(4)
  • Description
  • Basic Info
  • Safety Info
  • MSDS
  • Synthesis Route
  • Price
  • Related Product
  • Supplier Reference
What is Hexanal

**Introduction to Hexanal** Hexanal, also known as hexanaldehyde (C₆H₁₂O), is a six-carbon aldehyde with a strong, grassy, and fruity aroma. Naturally found in various fruits, vegetables, and essential oils, it plays a key role in food flavoring and fragrance industries. Hexanal is widely used as a flavor enhancer in beverages, baked goods, and dairy products, imparting a fresh, green note. Additionally, it serves as an intermediate in the synthesis of pharmaceuticals, plastics, and agricultural chemicals. Recent studies highlight its potential as a natural preservative, inhibiting microbial growth and extending the shelf life of fresh produce. With its versatile applications, hexanal is a valuable compound in food science, agriculture, and industrial chemistry.

Preparation Process: To prepare hexanal, begin by oxidizing 1-hexanol using pyridinium chlorochromate (PCC) in dichloromethane (DCM) at room temperature. Dissolve 1-hexanol (10 mmol) in DCM (30 mL), then add PCC (12 mmol) gradually with stirring. After 2–4 hours, filter the mixture through a silica gel pad, washing with DCM. Concentrate the filtrate under reduced pressure to obtain crude hexanal. Purify by distillation (bp 128–130°C) or column chromatography (silica gel, hexane/ethyl acetate eluent). Alternatively, ozonolysis of 1-hexene followed by reductive workup (e.g., dimethyl sulfide) yields hexanal. Ensure inert conditions to prevent over-oxidation to hexanoic acid.

Usage Scenarios: Hexanal is a six-carbon aldehyde used primarily as a flavor and fragrance agent due to its fresh, grassy, and slightly fruity aroma. It is commonly found in essential oils and is employed in perfumery, cosmetics, and food flavoring to impart green, apple-like notes. In agriculture, hexanal acts as a natural plant-derived compound to extend the shelf life of fruits by inhibiting ethylene synthesis and reducing post-harvest spoilage. Additionally, it serves as an intermediate in organic synthesis for producing pharmaceuticals, resins, and plasticizers. Its antimicrobial properties also make it useful in food preservation and as a pest repellent in certain applications.

Hexanal Basic Info
Chemical Name Hexanal
Synonyms N-HEXANAL;CAPROALDEHYDE;HEXALDEHYDE;ALDEHYDE C-6;1-HEXANAL;butacetin;hexanaldehyde;N-HEXALDEHYDE;CAPRONALDEHYDE;Natural hexanal
CAS No. 66-25-1
Molecular Formula C6H12O
Molecular Weight 100.16
PSA 17.07000
LogP 1.76560
Safely Info
RTECS MN7175000
Hazard Class 3
Safety Statements 37/39-26-16-9
HS Code 2912 19 00
WGK Germany 1
Packing Group III
RIDADR UN 1207 3/PG 3
Risk Statements 10-36-36/37/38
Hazard Codes Xi
Caution Statement P210-P233-P240-P241-P303+P361+P353-P305+P351+P338
Hazard Declaration H226-H315-H319
Symbol GHS02,GHS07
Signal Word Warning
Hexanal Price
1. United States: $50 - $100 per kg
2. China: $30 - $80 per kg
3. Russia: $40 - $90 per kg
4. Germany: $60 - $110 per kg
5. India: $25 - $70 per kg
6. Japan: $70 - $120 per kg
7. Brazil: $35 - $85 per kg
8. South Korea: $65 - $115 per kg
9. Philippines: No results
10. United Kingdom: $55 - $105 per kg
11. France: $60 - $110 per kg
12. Mexico: $40 - $90 per kg
13. Canada: $50 - $100 per kg
14. South Africa: $30 - $80 per kg
15. Egypt: No results
16. Turkey: $35 - $85 per kg
17. Thailand: $25 - $75 per kg
18. Indonesia: $20 - $70 per kg

*Note: These are rough estimates and may vary based on market conditions, suppliers, and other factors.*
MSDS
MSDS
Name: Hexanal 96% Material Safety Data Sheet
Synonym: Caproaldehyde; Hexaldehyde; Caproic aldehyde
CAS: 66-25-1
Section 1 - Chemical Product   MSDS Name:Hexanal 96% Material Safety Data Sheet
Synonym:Caproaldehyde; Hexaldehyde; Caproic aldehyde

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
66-25-1 Hexanal 96.0 200-624-5
Hazard Symbols: XI
Risk Phrases: 10 36/37/38

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Flammable. Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes mild eye irritation. May cause chemical conjunctivitis and corneal damage.
Skin:
Causes mild skin irritation. May cause dermatitis. May cause cyanosis of the extremities.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. Expected to be a low ingestion hazard. Ingestion of large amounts may cause CNS depression.
Inhalation:
May cause respiratory tract irritation. Aspiration may lead to pulmonary edema. Vapors may cause dizziness or suffocation. May cause burning sensation in the chest.
Chronic:
No information found.

Section 4 - FIRST AID MEASURES
  Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Get medical aid if irritation develops or persists. Wash clothing before reuse.
Ingestion:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Never give anything by mouth to an unconscious person. Get medical aid.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:

Section 5 - FIRE FIGHTING MEASURES
  General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. Vapors may form an explosive mixture with air. Use water spray to keep fire-exposed containers cool. Containers may explode in the heat of a fire. Flammable liquid and vapor. Vapors are heavier than air and may travel to a source of ignition and flash back. Vapors can spread along the ground and collect in low or confined areas. This liquid floats on water and may travel to a source of ignition and spread fire.
Extinguishing Media:
For small fires, use dry chemical, carbon dioxide, water spray or alcohol-resistant foam. For large fires, use water spray, fog, or alcohol-resistant foam. Use water spray to cool fire-exposed containers. Water may be ineffective. Do NOT use straight streams of water.

Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Clean up spills immediately, observing precautions in the Protective Equipment section. Remove all sources of ignition. Use a spark-proof tool. Provide ventilation. A vapor suppressing foam may be used to reduce vapors.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Ground and bond containers when transferring material. Use spark-proof tools and explosion proof equipment. Avoid contact with eyes, skin, and clothing. Empty containers retain product residue, (liquid and/or vapor), and can be dangerous. Keep away from heat, sparks and flame. Avoid ingestion and inhalation. Do not pressurize, cut, weld, braze, solder, drill, grind, or expose empty containers to heat, sparks or open flames.
Use only with adequate ventilation.
Storage:
Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Keep under a nitrogen blanket. Store in a cool, dry, well-ventilated area away from incompatible substances. Flammables-area. Keep away from acids.
Refrigeration has been recommended.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate general or local explosion-proof ventilation to keep airborne levels to acceptable levels.
Exposure Limits CAS# 66-25-1: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Liquid
Color: colorless
Odor: pungent green grass odor; fruity odor on dilution
pH: Not available.
Vapor Pressure: 2.4 mbar @ 20 deg C
Viscosity: 0.69 mPas 20 deg C
Boiling Point: 131 deg C @ 760mm Hg
Freezing/Melting Point: -56 deg C
Autoignition Temperature: 220 deg C ( 428.00 deg F)
Flash Point: 32 deg C ( 89.60 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: Insoluble.
Specific Gravity/Density: .83g/cm3 @ 20C
Molecular Formula: C6H12O
Molecular Weight: 100.16

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Oxidizes when exposed to air. Autooxidizes and polymerizes, especially in the presence of traces of acid.
Conditions to Avoid:
Incompatible materials, ignition sources, exposure to air, excess heat, plastics, rubber.
Incompatibilities with Other Materials:
Strong oxidizing agents, bases, acids, strong reducing agents.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide.
Hazardous Polymerization: May occur.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 66-25-1: MN7175000 LD50/LC50:
CAS# 66-25-1: Draize test, rabbit, eye: 100 mg/24H Mild; Draize test, rabbit, eye: 500 mg/24H Mild; Draize test, rabbit, skin: 500 mg/24H Mild; Oral, mouse: LD50 = 8292 mg/kg; Oral, rat: LD50 = 4890 mg/kg.
Carcinogenicity:
Hexanal - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

Section 12 - ECOLOGICAL INFORMATION
  Ecotoxicity:
Fish: Fathead Minnow: LC50 = 724 mg/L; 96 Hr.; UnspecifiedFish: Fathead Minnow: LC50 = 14.0 mg/L; 96 Hr.; Unspecified

Section 13 - DISPOSAL CONSIDERATIONS
  Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION
 
IATA
Shipping Name: HEXALDEHYDE
Hazard Class: 3
UN Number: 1207
Packing Group: III
IMO
Shipping Name: normal-HEXALDEHYDE
Hazard Class: 3.3
UN Number: 1207
Packing Group: III
RID/ADR
Shipping Name: HEXALDEHYDE
Hazard Class: 3
UN Number: 1207
Packing group: III

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 10 Flammable.
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 16 Keep away from sources of ignition - No
smoking.
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 66-25-1: 1
Canada
CAS# 66-25-1 is listed on Canada's DSL List.
CAS# 66-25-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 66-25-1 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A
SDS 1.0
Synthesis Route
Total254 synthetic routes
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