2-甲基-2-戊烯醛

Description

2-Methyl-2-pentenal is identified by CAS 623-36-9, molecular formula C6H10O and molecular weight 98.07 g/mol. UNII 947O3MC76M; InChIKey IDEYZABHVQLHAF-UHFFFAOYSA-N. Boiling Point: 137 °C; Density: 0.855-0.865; Refractive Index: 1.445-1.453.

Identification

CAS Registry Number	623-36-9
PubChem CID	12177
Molecular formula	C6H10O
Molecular weight	98.07 g/mol
IUPAC name	2-methylpent-2-enal
InChIKey	IDEYZABHVQLHAF-UHFFFAOYSA-N
UNII (FDA)	947O3MC76M
FEMA number	3194
JECFA number	1209

Computed Descriptors

Molecular Weight	98.14
XLogP3	1.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
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	137 °C
Density	0.855-0.865
Refractive Index	1.445-1.453

Physical description & handling notes

• colourless to yellow-green mobile liquid; powerful grassy green, slightly fruity aroma
• Insoluble in water; soluble in ether, benzene, methanol
• 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 Fruit No safety concern at current levels of intake when used as a flavouring agent

GHS Hazard Classification

Reported hazard statements	H226 (100%), H317 (93.6%), H318 (93.9%), H331 (93.9%), H412 (93.6%)

Documented Uses

• Flavoring Agents -> JECFA Flavorings Index
• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• 2-Methyl-2-pentenal; 2-Methylpent-2-enal; 2-Pentenal, 2-methyl-; 2,4-Dimethylcrotonaldehyde; α-Methyl-β-ethylacrolein; alpha-Methyl-beta-ethylacrolein
• 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

2-Methylpent-2-enal; 2-Pentenal, 2-methyl-; DTXSID3052301; alpha-Methyl-beta-ethylacrolein; beta-Ethyl-alpha-methylacrolein; FEMA No. 3194; DTXCID0030873; 947O3MC76M; NSC-9464; RefChem:910041; 210-789-5; 2-Methyl-2-pentenal; 623-36-9; 2-methyl-pent-2-enal; 2-Methyl-2-penten-1-al; 2-methyl 2-pentenal

Frequently Asked Questions

What are the CAS number and molecular formula of 2-Methyl-2-pentenal?

CAS 623-36-9; molecular formula C6H10O; molecular weight 98.07 g/mol.

What other names is 2-Methyl-2-pentenal known by?

2-Methylpent-2-enal, 2-Pentenal, 2-methyl-, DTXSID3052301, alpha-Methyl-beta-ethylacrolein, beta-Ethyl-alpha-methylacrolein, FEMA No. 3194.

What is the regulatory status of 2-Methyl-2-pentenal?

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

Is 2-Methyl-2-pentenal classified as hazardous?

Hazard statements reported: H226, H317, H318, H331, H412.

What are the key physical properties of 2-Methyl-2-pentenal?

Boiling Point: 137 °C; Density: 0.855-0.865; Refractive Index: 1.445-1.453.

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.