1-Octen-3-yl butyrate

Name: 1-Octen-3-yl butyrate
Brand: Jinan Shenghe Chemical Co., Ltd.
SKU: 160175

CAS 16491-54-6C12H22O2MW 198.16 g/mol

1-Octen-3-yl butyrate (CAS 16491-54-6) — formula C12H22O2, molecular weight 198.16 g/mol.

Specifications

CAS Number16491-54-6

Molecular FormulaC12H22O2

Molecular Weight198.16 g/mol

Boiling Point225.00 to 227.00 °C. @ 760.00 mm Hg

LogP4

ApplicationsUse Classification: Flavouring Agent -> -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: Butanoic acid, 1-ethenylhexyl ester: ACTIVE

Where it is used

Documented applications: Use Classification: Flavouring Agent -> -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: Butanoic acid, 1-ethenylhexyl ester: ACTIVE.

Purchase Profile

What this product is

1-Octen-3-yl butyrate is a chemical compound with CAS registry number 16491-54-6 and molecular formula C12H22O2 (molecular weight 198.16 g/mol).

Identification

CAS number: 16491-54-6

Its molecular formula C12H22O2 comprises 12 C, 22 H, 2 O atoms.

Also known as: 1-Octen-3-yl butyrate · 1-Octen-3-ylbutyrate

Frequently Asked Questions

What is the CAS number of 1-Octen-3-yl butyrate?

The CAS registry number of 1-Octen-3-yl butyrate is 16491-54-6.

What is the molecular formula and molecular weight of 1-Octen-3-yl butyrate?

Molecular formula C12H22O2, molecular weight 198.16 g/mol.

What other names is 1-Octen-3-yl butyrate known by?

It is also registered under: 1-Octen-3-yl butyrate, 1-Octen-3-ylbutyrate.

What are the documented applications of 1-Octen-3-yl butyrate?

Recorded applications: Use Classification: Flavouring Agent -> -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: Butanoic acid, 1-ethenylhexyl ester: ACTIVE.

PubChem Public Data

Public-database records for 1-Octen-3-yl butyrate (CAS 16491-54-6), reproduced here for independent cross-checking.

Safety classification and hazard statements

GHS notification summary	100% (1422 / 1422)

This chemical does not meet GHS hazard criteria for 100% (1422 of 1422) of all reports.

Reported as not meeting GHS hazard criteria by 1422 of 1422 companies. For more detailed information, please visit ECHA C&L website.

Regulatory listings

Regulatory & Food Contact	EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents No safety concern at current levels of intake when used as a flavouring agent ">RS 952-JECFA 69/93 ">FAS 60-JECFA 69/622
GHS notification summary	100% (1422 / 1422)

Physical description and handling notes

Colourless liquid; Sweet, fruity, buttery, mushroom aroma
Insoluble in water; soluble in oils; slightly soluble in propylene glycol
Soluble (in ethanol)

Reported physical properties

沸点	225.00 to 227.00 °C. @ 760.00 mm Hg
沸点	80-81 °C (3.5 mm Hg)
密度	0.870-0.879
折射率	1.423-1.428

How this substance is indexed

CAS Registry Number	16491-54-6
PubChem CID	27892
分子式	C12H22O2
分子量	198.16 g/mol
IUPAC 名称	oct-1-en-3-yl butanoate
InChIKey	LZWFXVJBIZIHCH-UHFFFAOYSA-N
UNII（FDA）	H8J989X4KJ
ChEBI 编号	CHEBI:169568
FEMA 编号	3612
JECFA 编号	1837

Documented uses

Flavouring Agent -> -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Butanoic acid, 1-ethenylhexyl ester: ACTIVE

Names this substance appears under

1-Octen-3-yl butyrate; 16491-54-6; 1-Pentylallyl butyrate; 1-Vinylhexyl butyrate; Butanoic acid, 1-ethenylhexyl ester; Butyric acid, 1-pentylallyl ester; FEMA No. 3612; BUTYRIC ACID, 1-VINYLHEXYL ESTER; H8J989X4KJ; DTXSID80864682; RefChem:1056141; DTXCID80813170; 240-555-8; oct-1-en-3-yl butanoate; 1-Ethenylhexyl butanoate; 1-Octen-3-ol butyrate

Computed molecular descriptors

分子量	198.30
XLogP3	4
氢键供体数	0
氢键受体数	2
可旋转键数	9
精确质量	198.161979940
单同位素质量	198.161979940
拓扑极性表面积	26.3
重原子数	14
形式电荷	0

Database abstract

1-Octen-3-yl butyrate is identified by CAS 16491-54-6, molecular formula C12H22O2 and molecular weight 198.16 g/mol. UNII H8J989X4KJ; ChEBI 169568; InChIKey LZWFXVJBIZIHCH-UHFFFAOYSA-N. 沸点: 225.00 to 227.00 °C. @ 760.00 mm Hg; 沸点: 80-81 °C (3.5 mm Hg); 密度: 0.870-0.879.

Source: PubChem / Wikidata; the batch COA governs where values differ.

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