反式2-己烯醛

Description

Trans-2-Hexenal · CAS 6728-26-3 · C6H10O. UNII 69JX3AIR1I. Boiling Point: 47.00 °C. @ 17.00 mm Hg; Boiling Point: 47 °C (17mm Hg); Density: 0.841-0.848.

Identification

CAS Registry Number	6728-26-3
PubChem CID	5281168
Molecular formula	C6H10O
IUPAC name	(E)-hex-2-enal
UNII (FDA)	69JX3AIR1I
JECFA number	1353

Computed Descriptors

Molecular Weight	98.14
XLogP3	1.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	98.073164938
Monoisotopic Mass	98.073164938
Topological Polar Surface Area	17.1
Heavy Atom Count	7
Formal Charge	0

Physical & Chemical Properties

Boiling Point	47.00 °C. @ 17.00 mm Hg
Boiling Point	47 °C (17mm Hg)
Density	0.841-0.848
Vapor Pressure	6.6 [mmHg]
Refractive Index	1.443-1.449

Physical description & handling notes

• CBI; Liquid
• Clear light yellow liquid; [Sigma-Aldrich MSDS]
• Pale yellow to colourless oily liquid; Strong fruity, green, vegetable-like aroma
• Soluble in propylene glycol and most fixed oils; Very slightly soluble in water
• Soluble (in ethanol)

Regulatory Status

Regulatory & Food Contact	EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent No safety concern at current levels of intake when used as a flavouring agent TRS 928-JECFA 63/77
GHS notification summary	0.7% (1 / 150)

GHS Hazard Classification

GHS notification summary	0.7% (1 / 150)
Reported hazard statements	H226 (96.6%), H302 (99.7%), H311 (96.4%), H317 (99.4%), H319 (78.7%), H411 (94.8%), H315 (25.3%)

Documented Uses

• Used as flavoring agent or adjuvant; [FDA]
• Concentrations in cosmetic products in the EU can not exceed 0.002%, based on sensitization reactions observed at 0.2% but not at 0.02%; [EC: SCCNFP]
• Naturally produced by the body (endogenous).
• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Flavoring Agents -> JECFA Flavorings Index
• Information on 15 consumer products that contain Trans-2-Hexenal in the following categories is provided:

Synonyms

trans-2-Hexenal; 6728-26-3; (E)-2-HEXENAL; 2-trans-Hexenal; 2-Hexenal, (2E)-; FEMA No. 2560; 69JX3AIR1I; RefChem:1100222; 229-778-1; 2-HEXENAL; Hex-2-enal; (E)-Hex-2-enal; Leaf aldehyde; trans-2-Hexen-1-al; 505-57-7; trans-Hex-2-enal

Frequently Asked Questions

What are the CAS number and molecular formula of Trans-2-Hexenal?

CAS 6728-26-3; molecular formula C6H10O; molecular weight — g/mol.

What other names is Trans-2-Hexenal known by?

trans-2-Hexenal, 6728-26-3, (E)-2-HEXENAL, 2-trans-Hexenal, 2-Hexenal, (2E)-, FEMA No. 2560.

What is the regulatory status of Trans-2-Hexenal?

Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; Flavoring Agents.

Is Trans-2-Hexenal classified as hazardous?

0.7% of GHS notifications report no hazard classification (1 of 150).

What are the key physical properties of Trans-2-Hexenal?

Boiling Point: 47.00 °C. @ 17.00 mm Hg; Boiling Point: 47 °C (17mm Hg); Density: 0.841-0.848; Vapor Pressure: 6.6 [mmHg].

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.