2-甲基丁基乙酸酯

Description

2-METHYLBUTYL ACETATE is identified by CAS 624-41-9, molecular formula C7H14O2 and molecular weight 130.10 g/mol. UNII IY8732E0YC; ChEBI 50585; InChIKey XHIUFYZDQBSEMF-UHFFFAOYSA-N. Boiling Point: 138.00 °C. @ 741.00 mm Hg; Boiling Point: 141 °C (720 mmHg); Density: 0.872-0.877.

Identification

CAS Registry Number	624-41-9
PubChem CID	12209
Molecular formula	C7H14O2
Molecular weight	130.10 g/mol
IUPAC name	2-methylbutyl acetate
InChIKey	XHIUFYZDQBSEMF-UHFFFAOYSA-N
UNII (FDA)	IY8732E0YC
ChEBI ID	CHEBI:50585
FEMA number	3644
JECFA number	138

Computed Descriptors

Molecular Weight	130.18
XLogP3	2.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	130.099379685
Monoisotopic Mass	130.099379685
Topological Polar Surface Area	26.3
Heavy Atom Count	9
Formal Charge	0

Physical & Chemical Properties

Boiling Point	138.00 °C. @ 741.00 mm Hg
Boiling Point	141 °C (720 mmHg)
Density	0.872-0.877
Vapor Pressure	6.34 [mmHg]
Vapor Pressure	4 mmHg
Refractive Index	1.399-1.404

Physical description & handling notes

• Liquid
• Transparent liquid; [OECD SIDS: Primary Amyl Acetate (Mixed Isomers) - 2006] Colorless to pale yellow liquid with a fruity odor like bananas; [Charkit Chemical MSDS]
• colourless to pale yellow liquid with an apple peel, banana odour
• soluble in fat; slightly soluble in water
• (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 Apple, Banana, Pear No safety concern at current levels of intake when used as a flavouring agent

GHS Hazard Classification

Reported hazard statements	H226, H315, H319, H372

Documented Uses

• Painting (Solvents) [Category: Paint]
• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Flavoring Agents -> JECFA Flavorings Index
• Information on 5 consumer products that contain 2-Methylbutyl acetate in the following categories is provided:
• 2023: 1,000,000 - <5,000,000 lb
• 2022: 1,000,000 - <5,000,000 lb

Synonyms

2-METHYLBUTYL ACETATE; 624-41-9; 2-Methyl-1-butyl acetate; 2-methyl-1-butanol acetate; Acetic acid 2-methylbutyl ester; 1-Butanol, 2-methyl-, acetate; 2-methylbutanol acetate; FEMA No. 3644; 1-Butanol, 2-methyl-, 1-acetate; DTXSID2027254; 2-Methylbutyl acetate (natural); EINECS 210-843-8; IY8732E0YC; DTXCID207254; CHEBI:50585; XHIUFYZDQBSEMF-UHFFFAOYSA-

Frequently Asked Questions

What are the CAS number and molecular formula of 2-METHYLBUTYL ACETATE?

CAS 624-41-9; molecular formula C7H14O2; molecular weight 130.10 g/mol.

What other names is 2-METHYLBUTYL ACETATE known by?

2-METHYLBUTYL ACETATE, 624-41-9, 2-Methyl-1-butyl acetate, 2-methyl-1-butanol acetate, Acetic acid 2-methylbutyl ester, 1-Butanol, 2-methyl-, acetate.

What is the regulatory status of 2-METHYLBUTYL ACETATE?

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

Is 2-METHYLBUTYL ACETATE classified as hazardous?

Hazard statements reported: H226, H315, H319, H372.

What are the key physical properties of 2-METHYLBUTYL ACETATE?

Boiling Point: 138.00 °C. @ 741.00 mm Hg; Boiling Point: 141 °C (720 mmHg); Density: 0.872-0.877; Vapor Pressure: 6.34 [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.