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Amyl butyrate

Amyl butyrate structure

Amyl butyrate 

structure
  • CAS No:

    540-18-1

  • Formula:

    C9H18O2

  • Chemical Name:

    Amyl butyrate

  • Synonyms:

    Butanoic acid,pentyl ester;Butyric acid,pentyl ester;Amyl butyrate;n-Amyl butyrate;Pentyl butyrate;n-Pentyl n-butyrate;Pentyl butanoate;1-Pentyl butyrate;n-Pentyl butyrate;NSC 7935;n-Pentyl butanoate

  • Categories:

    Cosmetic Ingredient  >  Perfuming

Description

Amyl butyrate has a strong, penetrating odor and a sweet taste


N-amyl butyrate appears as a colorless liquid. Less dense than water. May emit acrid fumes and irritating smoke when burned. Used to make plastics.|Liquid|colourless to pale yellow liquid


N-amyl butyrate appears as a colorless liquid. Less dense than water. May emit acrid fumes and irritating smoke when burned. Used to make plastics.|Pentyl butyrate is the butyrate ester of pentan-1-ol. It has a role as a metabolite. It derives from a pentan-1-ol.

Amyl butyrate Basic Attributes

158.24

158.24

208-739-2

3Q2JP0VD8J

7935

2620

DTXSID4041604

2915600000

Characteristics

26.3

2.51990

N-amyl butyrate appears as a colorless liquid. Less dense than water. May emit acrid fumes and irritating smoke when burned. Used to make plastics.

0.8823 g/cm3 @ Temp: 0 °C

-73.2 °C

186.4 °C

154 °F

n20/D 1.41(lit.)

174.1mg/L(20 ºC)

Oral-rat LD50: 12210 mg/kg; Oral-guinea pig LD50: 11950 mg/kg

Flammable; burning produces irritating fumes

Flammable. Soluble in water.

Esters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters

Highly Flammable

AMYL BUTYRATE is an ester. Esters react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides.

Safety Information

III

3.2

2620

3

36/37/38

26-36

ET5956000

Xi

Treasury is ventilated, low temperature and dry; stored and transported separately from oxidant

Steam and air can be explosive when mixed

P261-P305 + P351 + P338

H315-H319-H335

Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]: HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion hazard indoors, outdoors or in sewers. Those substances designated with a (P) may polymerize explosively when heated or involved in a fire. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water. (ERG, 2016)|Flammable - 2nd degree

|Warning|H226 (97.04%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 1283 companies from 7 notifications to the ECHA C&L Inventory.

Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]: CAUTION: All these products have a very low flash point: Use of water spray when fighting fire may be inefficient. SMALL FIRE: Dry chemical, CO2, water spray or regular foam. LARGE FIRE: Water spray, fog or regular foam. Do not use straight streams. Move containers from fire area if you can do it without risk. FIRE INVOLVING TANKS OR CAR/TRAILER LOADS: Fight fire from maximum distance or use unmanned hose holders or monitor nozzles. Cool containers with flooding quantities of water until well after fire is out. Withdraw immediately in case of rising sound from venting safety devices or discoloration of tank. ALWAYS stay away from tanks engulfed in fire. For massive fire, use unmanned hose holders or monitor nozzles; if this is impossible, withdraw from area and let fire burn. (ERG, 2016)

Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]: As an immediate precautionary measure, isolate spill or leak area for at least 50 meters (150 feet) in all directions. LARGE SPILL: Consider initial downwind evacuation for at least 300 meters (1000 feet). FIRE: If tank, rail car or tank truck is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2016)

Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]: ELIMINATE all ignition sources (no smoking, flares, sparks or flames in immediate area). All equipment used when handling the product must be grounded. Do not touch or walk through spilled material. Stop leak if you can do it without risk. Prevent entry into waterways, sewers, basements or confined areas. A vapor-suppressing foam may be used to reduce vapors. Absorb or cover with dry earth, sand or other non-combustible material and transfer to containers. Use clean, non-sparking tools to collect absorbed material. LARGE SPILL: Dike far ahead of liquid spill for later disposal. Water spray may reduce vapor, but may not prevent ignition in closed spaces. (ERG, 2016)

Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]: Wear positive pressure self-contained breathing apparatus (SCBA). Structural firefighters' protective clothing will only provide limited protection. (ERG, 2016)

Toxicity

practically nontoxic

Drug Information

Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]: May cause toxic effects if inhaled or absorbed through skin. Inhalation or contact with material may irritate or burn skin and eyes. Fire will produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control or dilution water may cause pollution. (ERG, 2016)

Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]: Ensure that medical personnel are aware of the material(s) involved and take precautions to protect themselves. Move victim to fresh air. Call 911 or emergency medical service. Give artificial respiration if victim is not breathing. Administer oxygen if breathing is difficult. Remove and isolate contaminated clothing and shoes. In case of contact with substance, immediately flush skin or eyes with running water for at least 20 minutes. Wash skin with soap and water. In case of burns, immediately cool affected skin for as long as possible with cold water. Do not remove clothing if adhering to skin. Keep victim calm and warm. Effects of exposure (inhalation, ingestion or skin contact) to substance may be delayed. (ERG, 2016)

amyl butyrate

Amyl butyrate Use and Manufacturing

Methods of Manufacturing

It is directly esterified by n-pentanol and butyric acid in the presence of concentrated sulfuric acid.

Uses

Has been used in such flavors as apricot, pineapple, pear, plum, and sparingly in some perfume compositions.


Air care products

Production

< 25,000 lb

Butanoic acid, pentyl ester: ACTIVE

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index|Fatty Acyls [FA] -> Fatty esters [FA07] -> Wax monoesters [FA0701]|Fire Hazards -> Flammable - 2nd degree

Flavoring Agents

Computed Properties

Molecular Weight:158.24
XLogP3:2.7
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:7
Exact Mass:158.130679813
Monoisotopic Mass:158.130679813
Topological Polar Surface Area:26.3
Heavy Atom Count:11
Complexity:99.7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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