顺式-3-己烯醛 溶液

Description

cis-3-Hexenal is identified by CAS 6789-80-6, molecular formula C6H10O and molecular weight 98.07 g/mol. UNII 6V54TKA96C; ChEBI 23292; InChIKey GXANMBISFKBPEX-ARJAWSKDSA-N. Boiling Point: 20.00 °C. @ 0.20 mm Hg; Boiling Point: 20 °C (20 mm Hg); Density: 0.967-0.973.

Identification

CAS Registry Number	6789-80-6
PubChem CID	643941
Molecular formula	C6H10O
Molecular weight	98.07 g/mol
IUPAC name	(Z)-hex-3-enal
InChIKey	GXANMBISFKBPEX-ARJAWSKDSA-N
UNII (FDA)	6V54TKA96C
ChEBI ID	CHEBI:23292
FEMA number	2561
JECFA number	316

Computed Descriptors

Molecular Weight	98.14
XLogP3	1.1
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	20.00 °C. @ 0.20 mm Hg
Boiling Point	20 °C (20 mm Hg)
Density	0.967-0.973
Refractive Index	1.427-1.436

Physical description & handling notes

• Colorless liquid with a powerful grassy, apple-like odor; [Bedoukian Research MSDS]
• colourless liquid
• slightly
• (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 891-JECFA 51/68

GHS Hazard Classification

Reported hazard statements	H226 (97.6%), H302 (100%)

Documented Uses

• Used as flavoring agent or adjuvant; [FDA] Also used in fragrances; [Bedoukian Research MSDS]
• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Flavoring Agents -> JECFA Flavorings Index

Synonyms

cis-3-Hexenal; 6789-80-6; (Z)-3-HEXENAL; 3-Hexenal, (3Z)-; 3-(Z)-Hexenal; FEMA No. 2561; 6V54TKA96C; CHEBI:23292; DTXSID30884335; FEMA NO. 3923, Z-; RefChem:502167; DTXCID30912021; 229-854-4; (Z)-Hex-3-enal; 3-Hexenal, (Z)-; 3-Hexenal, cis-

Frequently Asked Questions

What are the CAS number and molecular formula of cis-3-Hexenal?

CAS 6789-80-6; molecular formula C6H10O; molecular weight 98.07 g/mol.

What other names is cis-3-Hexenal known by?

cis-3-Hexenal, 6789-80-6, (Z)-3-HEXENAL, 3-Hexenal, (3Z)-, 3-(Z)-Hexenal, FEMA No. 2561.

What is the regulatory status of cis-3-Hexenal?

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

Is cis-3-Hexenal classified as hazardous?

Hazard statements reported: H226, H302.

What are the key physical properties of cis-3-Hexenal?

Boiling Point: 20.00 °C. @ 0.20 mm Hg; Boiling Point: 20 °C (20 mm Hg); Density: 0.967-0.973; Refractive Index: 1.427-1.436.

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.