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Isoamyl propionate

Isoamyl propionate structure

CAS No:
105-68-0
Formula:
C8H16O2
Chemical Name:
Isoamyl propionate
Synonyms:
1-Butanol,3-methyl-,1-propanoate;Isopentyl alcohol,propionate;1-Butanol,3-methyl-,propanoate;Propionic acid,isopentyl ester;Isoamyl propionate;3-Methylbutyl propionate;iso-Pentyl propionate;Isopentyl propionate;Isoamyl propanoate;Isopentyl propanoate;3-Methylbutyl propanoate;NSC 7932;3-Methyl-1-butanol propanoate;3-Methyl-1-butyl propanoate
Categories:
Cosmetic Ingredient > Perfuming

Description

Isoamyl propionate has a pineapple–apricot odor. The taste is somewhat harsh when freshly distilled, but subsequently yields a pleasant apricot–plum, bittersweet flavor Clear colorless liquidChEBI: A propanoate ester of isoamylol.Isoamyl propionate has an apricot-pineapple odor. The taste is somewhat harsh when freshly distilled but subsequently yields apleasant apricot-plum bittersweet flavor. May be prepared by esterification of propionic acid with the isomeric amyl alcohols obtained from

Colourless liquid with a fruity, apricot, pineapple-like odour

Isoamyl propanoate is a propanoate ester of isoamylol. It has a role as a metabolite. It derives from an isoamylol.

Isoamyl propionate Basic Attributes

Molecular Weight：

144.21

Exact Mass：

144.21

EC Number：

203-322-1

UNII：

2A8739M82Z

NSC Number：

7932

DSSTox ID：

DTXSID5047613

HScode：

29155000

Characteristics

PSA：

26.3

XLogP3：

2.5

Appearance：

Colourless liquid with a fruity, apricot, pineapple-like odour

Density：

0.871 g/mL at 25 °C(lit.)

Melting Point：

-70.1°C (estimate)

Boiling Point：

160.2 °C

Flash Point：

118 °F

Refractive Index：

n 20/D 1.406(lit.)

Water Solubility：

Soluble in ethanol and most fixed oils, insoluble in glycerol, propylene glycol and water

Storage Conditions：

Flammables area

Vapor Pressure：

2.36mmHg at 25°C

Toxicity：

Oral-Rabbit LD50: 6924 mg/kg

Flammability characteristics：

Combustible in case of open flame, high temperature and strong oxidant; burning emits irritating smoke

Explosive limit：

1%(V)

Safety Information

Packing level：

III

Hazard category：

3.2

Transport codes：

UN 3272 3/PG 3

wgk germany：

hazard class code：

safety instructions：

16-27-36/37/39-24-23

RTECS Number：

NT0190000

Storage features：

Complete packaging, light loading and unloading; warehouse ventilated, away from open flame, high temperature, and stored separately from oxidant

Stability/Shelf Life：

Stable at normal temperatures and pressures.

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501

Hazard Statements：

H226

GHS Classification：

|Warning|H226 (99.94%): 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 1663 companies from 8 notifications to the ECHA C&L Inventory.|H226: Flammable liquid and vapor [Warning Flammable liquids]

Toxicity

Toxicity class：

practically nontoxic

Isoamyl propionate Use and Manufacturing

Methods of Manufacturing

It is made of propionic acid and isoamyl alcohol under the catalysis of sulfuric acid.

Uses

Perfumes, lacquers, flavors.

Manufacturing Info：

1-Butanol, 3-methyl-, 1-propanoate: 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:144.21
XLogP3:2.5
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:144.115029749
Monoisotopic Mass:144.115029749
Topological Polar Surface Area:26.3
Heavy Atom Count:10
Complexity:97.4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Isoamyl alcohol

Recommended Suppliers of Isoamyl propionate

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Isoamyl propionate

CAS No.: 105-68-0

Grade: Industrial Grade

Content: 99%

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Guide of Isoamyl propionate

Description
Basic Attributes
Characteristics
Safety Information
Toxicity
Use and Manufacturing
Computed Properties
Material
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Isoamyl propionate

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