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540-18-1

Basic Information
CAS No.: 540-18-1
Name: Pentyl butyrate
Article Data: 21
Molecular Structure:
Molecular Structure of 540-18-1 (Pentyl butyrate)
Formula: C9H18 O2
Molecular Weight: 158.241
Synonyms: Butyricacid, pentyl ester (6CI,7CI,8CI); 1-Pentyl butyrate; Amyl butyrate; NSC 7935;Pentyl butanoate; Pentyl butyrate; n-Amyl butyrate; n-Pentyl butanoate;n-Pentyl butyrate; n-Pentyl n-butyrate
EINECS: 208-739-2
Density: 0.863
Melting Point: -73.2°
Boiling Point: 184-188 ºC(lit.)
Flash Point: 154 ºF
Solubility: 174.1mg/L(20 oC)
Appearance: colourless to pale yellow liquid
Hazard Symbols:
Risk Codes: R36/37/38   
Safety: Mildly toxic by ingestion. When heated to decomposition it emits acrid smoke and irritating fumes.
PSA: 26.30000
LogP: 2.51990
Synthetic route
71-41-0

pentan-1-ol

107-92-6

butyric acid

540-18-1

pentyl butyrate

Conditions
ConditionsYield
With salicylic acid resin supported FeCl3 In benzene at 125℃; for 2.05h;97.2%
With Rhizomucor miehei lipase In n-heptane at 40℃; for 24h; Enzymatic reaction;96.2%
With DOOl-AlCl3 superacid resin for 4h; Heating;91%
71-41-0

pentan-1-ol

141-75-3

butyryl chloride

540-18-1

pentyl butyrate

Conditions
ConditionsYield
With cesium fluoride In acetonitrile at 82℃;5%
71-41-0

pentan-1-ol

123-20-6

vinyl n-butyrate

A

540-18-1

pentyl butyrate

B

75-07-0

acetaldehyde

Conditions
ConditionsYield
4 A molecular sieve; pig pancreatic lipase In tetrahydrofuran for 24h; Heating;A 91 % Chromat.
B n/a
71-41-0

pentan-1-ol

105-54-4

butanoic acid ethyl ester

A

64-17-5

ethanol

B

540-18-1

pentyl butyrate

Conditions
ConditionsYield
With cutinase (Fusarium solani expressed in E. Coli) at 50℃; Rate constant; transesterification at different water activities;
With cutinase (Fusarium solani expressed in E. Coli) at 50℃; Rate constant; microwave effect on transesterification at different water activities;
628-17-1

amyl iodide

butyrate silver

butyrate silver

540-18-1

pentyl butyrate

4485-09-0

nonan-4-one

540-18-1

pentyl butyrate

Conditions
ConditionsYield
With phosphite dehydrogenase; Cyanidioschyzon merolae strain 10D (NIES-1332) Baeyer-Villiger monooxygenase; Phosphate; NADPH In 1,4-dioxane at 25℃; pH=7.5; Reagent/catalyst; Baeyer-Villiger Ketone Oxidation; Enzymatic reaction; regioselective reaction;
4485-09-0

nonan-4-one

A

626-77-7

propyl hexanoate

B

540-18-1

pentyl butyrate

Conditions
ConditionsYield
With baeyer-villiger monooxygenases 2 In ethanol at 24℃; for 24h; Reagent/catalyst; Baeyer-Villiger Ketone Oxidation; Enzymatic reaction;A n/a
B n/a
540-18-1

pentyl butyrate

A

71-41-0

pentan-1-ol

B

107-92-6

butyric acid

Conditions
ConditionsYield
With phosphate buffer; pig pancreatic lipase; pentan-3-yl butyrate In water Product distribution; enzymatic discrimination of esters;
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    540-18-1

    Butanoic acid, pentylester

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    Nanjing Raymon Biotech Co., Ltd. is specialized in developing and marketing middle & high level pharmaceutical intermediates. We are supplying different categories of high-quality

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  • 540-18-1

  • Casno:

    540-18-1

    540-18-1

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    Amyl butyrate CAS NO.540-18-1 Application:intermediates

    We are Hebei minshang biotechnology co. LTD., mainly deal in pharmaceutical intermediates and various chemicals. We are manufacturers and have our own factory. Products & Usage Ph

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  • Butanoic acid, pentylester

  • Casno:

    540-18-1

    Butanoic acid, pentylester

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    good quality and best price Application:intermediates

    ShoChem Co. Ltd (Shochem) is mainly engaged in development of highly value-added pharmaceutical intermediates, fine chemicals, API synthesis, and the above process optimization. We

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  • CSR160805-26231

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    540-18-1

    CSR160805-26231

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  • Amyl butyrate ≥ 98.0%

  • Casno:

    540-18-1

    Amyl butyrate ≥ 98.0%

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    1.We have rich experience in the development and production 2.Our factory is in Shanghai of China,We have convenient traffic conditions.3.We have advanced testing equipment and shipping line. Package:5g, 10g, 50g, 100g, 1kg Application:Pharmaceutical

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  • Casno:

    540-18-1

    Amyl butyrate

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  • Pentyl butyrate

  • Casno:

    540-18-1

    Pentyl butyrate

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  • Amyl butyrate CAS NO.540-18-1

  • Casno:

    540-18-1

    Amyl butyrate CAS NO.540-18-1

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    Amyl butyrate CAS NO.540-18-1 Application:Amyl butyrate CAS NO.540-18-1

    Hangzhou Fenjunchem Co.,Ltd dedicated to the development, production and marketing of chemicals which is specialized in Organic compounds; Active Pharmaceutical Ingredient(s); Nutr

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  • Pentyl butyrate

  • Casno:

    540-18-1

    Pentyl butyrate

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    High quality Application:Pharmaceutial

    Chamflyer Chemicals Co.Ltd is a fine organics manufacturing facility which located in Shanghai. We produce a wide range of boronic acids, pyridines, quinolines, indoles, oxazoles,

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    Address:No 38 Debao Road, Pudong New District, Shanghai

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Chemistry

Chemistry informtion about  Pentyl butyrate (540-18-1) is:
IUPAC Name: Pentyl butanoate
Synonyms: 1-Pentyl butyrate ; 1-pentylbutanoate ; 1-pentylbutyrate ; amylbutyrates ; Butanoic acid, pentyl ester ; Butanoicacid,pentylester ; Butyric acid, pentyl ester ; butyricacid,pentylester
MF: C9H18O2
MW: 158.24
EINECS: 208-739-2 
Density: 0.876 g/cm3
Flash Point: 67.2 °C
Boiling Point: 188.1 °C at 760 mmHg
Enthalpy of Vaporization: 42.43 kJ/mol 
Vapour Pressure: 0.608 mmHg at 25°C
Refractive Index:  n20/D 1.41(lit.)
FEMA:2059
Merck:604
Following is the molecular structure of  Pentyl butyrate (540-18-1) is:

Uses

 Pentyl butyrate (540-18-1) can be used to make plastics.Also, it is used as an additive in cigarettes.

Toxicity Data With Reference

Organism

Test Type

Route

Reported Dose

(Normalized Dose)

Effect

Source

guinea pig

LD50

oral

11950mg/kg

(11950mg/kg)

Behavioral: somnolence (general depressed activity) behavioral: ataxia

Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.

rat

LD50

oral

12210mg/kg

(12210mg/kg)

Behavioral: somnolence (general depressed activity) skin and appendages (skin): hair: other

Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Mildly toxic by ingestion. When heated to decomposition it emits acrid smoke and irritating fumes.
Hazard Codes:
Xi: Irritant
Risk Statements:
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements:
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36: Wear suitable protective clothing. 
RIDADR:2620
WGK Germany:3
RTECS:ET5956000
HazardClass:3.2
PackingGroup:III

Specification

General Description about  Pentyl butyrate (540-18-1),it is a colorless liquid. Less dense than water. May emit acrid fumes and irritating smoke when burned. 
Air & Water Reactions: Flammable. Soluble in water.
Reactivity Profile:  Pentyl butyrate (540-18-1)  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.
Health Hazard: 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.
Fire Hazard: 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. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water.