顺-3-己烯基异戊酸酯天然

Description

Cis-3-hexenyl isovalerate synthetic · CAS 35154-45-1 · C11H20O2. UNII L9KN8775G8. Boiling Point: 98.00 °C. @ 15.00 mm Hg; Boiling Point: 199 °C; Density: 0.874-0.876.

Identification

CAS Registry Number	35154-45-1
PubChem CID	5367681
Molecular formula	C11H20O2
IUPAC name	[(Z)-hex-3-enyl] 3-methylbutanoate
UNII (FDA)	L9KN8775G8
FEMA number	3498
JECFA number	202

Computed Descriptors

Molecular Weight	184.27
XLogP3	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	7
Exact Mass	184.146329876
Monoisotopic Mass	184.146329876
Topological Polar Surface Area	26.3
Heavy Atom Count	13
Formal Charge	0

Physical & Chemical Properties

Boiling Point	98.00 °C. @ 15.00 mm Hg
Boiling Point	199 °C
Density	0.874-0.876
Refractive Index	1.429-1.435

Physical description & handling notes

• colourless liquid/swet, apple-like odour
• soluble in alcohool, most fixed oils; insolouble- water
• (in ethanol)

Regulatory Status

Regulatory & Food Contact	EU Flavoring substances Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Fruit No safety concern at current levels of intake when used as a flavouring agent TRS 884-JECFA 49/52
GHS notification summary	82.8% (198 / 239)

GHS Hazard Classification

GHS notification summary	82.8% (198 / 239)
Reported hazard statements	H226 (17.2%)

Documented Uses

• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Flavoring Agents -> JECFA Flavorings Index
• cis-3-Hexenyl isovalerate; (Z)-Hex-3-enyl isovalerate; Hex-3-en-1-yl 3-methylbutanoate; Isovaleric acid, 3-hexenyl ester, (z)-; (Z)-3-Hexen-1-yl isovalerate
• IFRA 51st Amendment - Guidance for the use of IFRA Standards
• Restriction: This material should be used only in the limited quantity as stated in the Standard
• DERMAL SENSITIZATION AND SYSTEMIC TOXICITY

Synonyms

cis-3-Hexenyl isovalerate; (Z)-3-Hexenyl isovalerate; 35154-45-1; [(Z)-hex-3-enyl] 3-methylbutanoate; cis-3-Hexenyl isopentanoate; (Z)-3-Hexen-1-yl isovalerate; (Z)-Hex-3-enyl isovalerate; (Z)-3-Hexenyl 3-methylbutyrate; 3-Hexenyl isopentanoate; Hex-3-enyl isovalerate; (Z)-Hex-3-enyl 3-methylbutanoate; Isovaleric acid, 3-hexenyl ester; cis-Hex-3-enyl 3-methylbutanoate; 3-Hexenyl 3-methylbutanoate; FEMA No. 3498; 3-Hexenyl isovalerate, (3Z)-

Frequently Asked Questions

What are the CAS number and molecular formula of Cis-3-hexenyl isovalerate synthetic?

CAS 35154-45-1; molecular formula C11H20O2; molecular weight — g/mol.

What other names is Cis-3-hexenyl isovalerate synthetic known by?

cis-3-Hexenyl isovalerate, (Z)-3-Hexenyl isovalerate, 35154-45-1, [(Z)-hex-3-enyl] 3-methylbutanoate, cis-3-Hexenyl isopentanoate, (Z)-3-Hexen-1-yl isovalerate.

What is the regulatory status of Cis-3-hexenyl isovalerate synthetic?

Documented regulatory listings: EU Flavoring substances; Flavoring Agents; FLAVOURING_AGENT: Flavouring Agent.

Is Cis-3-hexenyl isovalerate synthetic classified as hazardous?

82.8% of GHS notifications report no hazard classification (198 of 239).

What are the key physical properties of Cis-3-hexenyl isovalerate synthetic?

Boiling Point: 98.00 °C. @ 15.00 mm Hg; Boiling Point: 199 °C; Density: 0.874-0.876; Refractive Index: 1.429-1.435.

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.