3-Hexenoic acid

Name: 3-Hexenoic acid
Brand: Jinan Shenghe Chemical Co., Ltd.
SKU: 160159

CAS 1577-18-0C6H10O2MW 114.07 g/mol

3-Hexenoic acid (CAS 1577-18-0) — formula C6H10O2, molecular weight 114.07 g/mol.

Specifications

CAS Number1577-18-0

Molecular FormulaC6H10O2

Molecular Weight114.07 g/mol

LogP1.2

Purchase Profile

What this product is

3-Hexenoic acid is a chemical compound with CAS registry number 1577-18-0 and molecular formula C6H10O2 (molecular weight 114.07 g/mol).

Identification

CAS number: 1577-18-0

Its molecular formula C6H10O2 comprises 6 C, 10 H, 2 O atoms.

Also known as: 3-Hexenoic acid · trans-3-hexenoic acid

Frequently Asked Questions

What is the CAS number of 3-Hexenoic acid?

The CAS registry number of 3-Hexenoic acid is 1577-18-0.

What is the molecular formula and molecular weight of 3-Hexenoic acid?

Molecular formula C6H10O2, molecular weight 114.07 g/mol.

What other names is 3-Hexenoic acid known by?

It is also registered under: 3-Hexenoic acid, trans-3-hexenoic acid.

PubChem Public Data

Public-database records for 3-Hexenoic acid (CAS 1577-18-0), reproduced here for independent cross-checking.

Safety classification and hazard statements

GHS notification summary	0.1% (2 / 1372)
Reported hazard statements	H314 (99.9%)

This chemical does not meet GHS hazard criteria for 0.1% (2 of 1372) of reports.

H314 (99.9%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

Regulatory listings

Regulatory & Food Contact	FDA Substance added to food: FLAVORING AGENT OR ADJUVANT FLAVOURING_AGENT: Flavouring Agent Fruit No safety concern at current levels of intake when used as a flavouring agent TRS 891-JECFA 51/68 FAS 42-JECFA 51/267
GHS notification summary	0.1% (2 / 1372)

How this substance is indexed

CAS Registry Number	1577-18-0
PubChem CID	5282708
分子式	C6H10O2
分子量	114.07 g/mol
IUPAC 名称	(E)-hex-3-enoic acid
InChIKey	XXHDAWYDNSXJQM-ONEGZZNKSA-N
UNII（FDA）	9B3N069EDG
ChEBI 编号	CHEBI:49285
FEMA 编号	3170
JECFA 编号	317

Documented uses

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Names this substance appears under

trans-3-Hexenoic acid; 1577-18-0; 3-Hexenoic acid, (3E)-; (E)-3-Hexenoic acid; trans-Hex-3-enoic acid; 3-Hexenoic acid, (E)-; FEMA No. 3170; 9B3N069EDG; NSC-26715; CHEBI:49285; RefChem:1100232; 216-417-8; (E)-hex-3-enoic acid; Hydrosorbic acid; 3-HEXENOIC ACID; (3E)-hex-3-enoic acid

Computed molecular descriptors

分子量	114.14
XLogP3	1.2
氢键供体数	1
氢键受体数	2
可旋转键数	3
精确质量	114.068079557
单同位素质量	114.068079557
拓扑极性表面积	37.3
重原子数	8
形式电荷	0

Database abstract

3-Hexenoic acid is identified by CAS 1577-18-0, molecular formula C6H10O2 and molecular weight 114.07 g/mol. UNII 9B3N069EDG; ChEBI 49285; InChIKey XXHDAWYDNSXJQM-ONEGZZNKSA-N.

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

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