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1-Octen-3-yl acetate

1-Octen-3-yl acetate structure

1-Octen-3-yl acetate 

structure
  • CAS No:

    2442-10-6

  • Formula:

    C10H18O2

  • Chemical Name:

    1-Octen-3-yl acetate

  • Synonyms:

    OCT-1-EN-3-YL ACETATE;OCTENYL ACETATE;1-Octen-3-ol,acetate;1-pentylallylacetate;amylvinylcarbinolacetate;Octen-3-yl acetate;AMYL VINYL CARBINYL ACETATE;1-OCTEN-3-YL ACETATE FCC

  • Categories:

    Flavors and Fragrances  >  Synthetic Fragrances

Description

1-Octen-3-yl acetate has a characteristic odor reminiscent of lavender and lavandin and/or a metallic, mushroom-like odor.


1-Octen-3-yl acetate is a carboxylic ester.


Moderately toxic by ingestion.Slightly toxic by skin contact. When heated todecomposition it emits acrid smoke and irritating vapors.

1-Octen-3-yl acetate Basic Attributes

170.25

170.25

219-474-7

TSCA listed

DTXSID9051903

Colorless to Almost colorless

2915.39.9000

Characteristics

26.30000

3.1

0.878 g/mL at 25 °C(lit.)

-89.9°C (estimate)

80 °C15 mm Hg(lit.)

165 °F

n20/D1.425(lit.)

Insoluble in water, soluble in alcohol and oils.

0.213mmHg at 25°C

LD50 orl-rat: 850 mg/kg FCTOD7 20,641,82

at 100.00 %. fresh green herbal lavender fruity oily

2-8°C

Safety Information

3

Xn

36

RH3320000

Xn

P280

22-43

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P272, P280, P301+P312, P302+P352, P321, P330, P333+P313, P363, and P501|Aggregated GHS information provided by 1654 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

1-octen-3-yl acetate

1-Octen-3-yl acetate Use and Manufacturing

Methods of Manufacturing

Derived from acetylation of pentyl vinyl methanol.

Uses

GB 2760m1996 stipulates the allowable food flavors. Mainly used to prepare mushroom and other flavors.

1-Octen-3-ol, 3-acetate: ACTIVE

Food additives -> Flavoring Agents

Flavoring Agents

Computed Properties

Molecular Weight:170.25
XLogP3:3.1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:7
Exact Mass:170.130679813
Monoisotopic Mass:170.130679813
Topological Polar Surface Area:26.3
Heavy Atom Count:12
Complexity:141
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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