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Pentyl hexanoate

Pentyl hexanoate structure

CAS No:
540-07-8
Formula:
C11H22O2
Chemical Name:
Pentyl hexanoate
Synonyms:
Hexanoic acid,pentyl ester;Amyl caproate;n-Amyl caproate;Amyl hexanoate;Pentyl hexanoate;Amyl capronate;Pentyl caproate;n-Pentyl hexanoate;NSC 46119;NSC 53794
Categories:
Cosmetic Ingredient > Perfuming

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Description

Amyl hexanoate has a charcteristic fruit-like (banana, pineapple) aroma.

Liquid|colourless liquid with a fruity odour

Valeryl hexanoate is a fatty acid ester.

Pentyl hexanoate Basic Attributes

Molecular Weight：

186.29

Exact Mass：

186.29

EC Number：

208-732-4

UNII：

5M61M1AL1H

NSC Number：

53794|46119

DSSTox ID：

DTXSID0047581

HScode：

2915900090

Characteristics

PSA：

26.30000

XLogP3：

3.30010

Appearance：

Liquid

Density：

0.8801 g/cm³ @ Temp: 0 °C

Melting Point：

-47 °C

Boiling Point：

226 °C

Flash Point：

195 °F

Refractive Index：

n20/D 1.42(lit.)

Water Solubility：

soluble in alcohol, propylene glycol, fixed oils: insoluble in glycerol, water

Toxicity：

LD50 orl-rat: >5 g/kg FCTOD7 26,285,88

Safety Information

Transport codes：

NA 1993 / PGIII

wgk germany：

hazard class code：

36/38-36/37/38

safety instructions：

26-36

RTECS Number：

MO8421700

Marks：

Precautionary statement(s)：

P305 + P351 + P338

Hazard Statements：

H315-H319

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|Aggregated GHS information provided by 1466 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

amyl hexanoate

Pentyl hexanoate Use and Manufacturing

Methods of Manufacturing

It is formed by catalytic esterification of caproic acid and pentanol in benzene solution with toluenesulfonic acid.

Uses

GB 2760-1996 stipulates the permitted food spices.

Manufacturing Info：

Hexanoic acid, pentyl ester: ACTIVE

Use Classification：

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index|Fatty Acyls [FA] -> Fatty esters [FA07] -> Wax monoesters [FA0701]

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:186.29
XLogP3:3.8
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:9
Exact Mass:186.161979940
Monoisotopic Mass:186.161979940
Topological Polar Surface Area:26.3
Heavy Atom Count:13
Complexity:121
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Isoamyl alcohol

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Guide of Pentyl hexanoate

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Material
Learn More Other Chemicals

Pentyl hexanoate

SDS

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