Isobutyl 2-butenoate

Description

Isobutyl 2-butenoate is identified by CAS 73545-15-0, molecular formula C8H14O2 and molecular weight 142.10 g/mol. UNII 6H6IW50K3Z; InChIKey XDOWKOALJBOBBL-SNAWJCMRSA-N. Boiling Point: 171 °C; Density: 0.880-0.900; Refractive Index: 1.426-1.430.

Identification

CAS Registry Number	73545-15-0
PubChem CID	5365793
Molecular formula	C8H14O2
Molecular weight	142.10 g/mol
IUPAC name	2-methylpropyl (E)-but-2-enoate
InChIKey	XDOWKOALJBOBBL-SNAWJCMRSA-N
UNII (FDA)	6H6IW50K3Z
FEMA number	3432
JECFA number	1206

Computed Descriptors

Molecular Weight	142.20
XLogP3	2.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	142.099379685
Monoisotopic Mass	142.099379685
Topological Polar Surface Area	26.3
Heavy Atom Count	10
Formal Charge	0

Physical & Chemical Properties

Boiling Point	171 °C
Density	0.880-0.900
Refractive Index	1.426-1.430

Physical description & handling notes

• Colourless liquid; powerful fruity aroma
• Slightly soluble in water; soluble in propylene glycol, most fixed oils
• soluble (in ethanol)

Regulatory Status

Regulatory & Food Contact	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 TRS 922-JECFA 61/75

GHS Hazard Classification

Reported hazard statements	H226 (98.3%), H315 (100%), H319 (100%), H335 (100%)

Documented Uses

• Flavoring Agents -> JECFA Flavorings Index
• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• 2-Butenoic acid, 2-methylpropyl ester, (2E)-: INACTIVE

Synonyms

Isobutyl 2-butenoate; 73545-15-0; 6H6IW50K3Z; TRANS-ISOBUTYL CROTONATE; 2-Butenoic acid, 2-methylpropyl ester, (E)-; 2-Butenoic acid, 2-methylpropyl ester, (2E)-; Crotonic acid, isobutyl ester, (trans)-; (E)-isobutyl but-2-enoate; ISOBUTYL-2-BUTENOATE; 2-Methylpropyl crotonate; ISOBUTYL-2-BUTENOATE [FCC]; ISOBUTYL 2-BUTENOATE [FHFI]; RefChem:791595; 209-658-5; Crotonic Acid Isobutyl Ester; 589-66-2

Frequently Asked Questions

What are the CAS number and molecular formula of Isobutyl 2-butenoate?

CAS 73545-15-0; molecular formula C8H14O2; molecular weight 142.10 g/mol.

What other names is Isobutyl 2-butenoate known by?

Isobutyl 2-butenoate, 73545-15-0, 6H6IW50K3Z, TRANS-ISOBUTYL CROTONATE, 2-Butenoic acid, 2-methylpropyl ester, (E)-, 2-Butenoic acid, 2-methylpropyl ester, (2E)-.

What is the regulatory status of Isobutyl 2-butenoate?

Documented regulatory listings: FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; Flavoring Agents; FLAVOURING_AGENT: Flavouring Agent.

Is Isobutyl 2-butenoate classified as hazardous?

Hazard statements reported: H226, H315, H319, H335.

What are the key physical properties of Isobutyl 2-butenoate?

Boiling Point: 171 °C; Density: 0.880-0.900; Refractive Index: 1.426-1.430.

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.