乙酸1-甲基丁酯

Description

2-Pentyl acetate is identified by CAS 626-38-0, molecular formula C7H14O2 and molecular weight 130.10 g/mol. UNII B570113U4Q; ChEBI 179996; InChIKey GQKZRWSUJHVIPE-UHFFFAOYSA-N. Boiling Point: 271.4 °F at 760 mmHg (USCG, 1999); Boiling Point: 130-131 °C; Boiling Point: 121 °C.

Identification

CAS Registry Number	626-38-0
PubChem CID	12278
Molecular formula	C7H14O2
Molecular weight	130.10 g/mol
IUPAC name	pentan-2-yl acetate
InChIKey	GQKZRWSUJHVIPE-UHFFFAOYSA-N
UNII (FDA)	B570113U4Q
ChEBI ID	CHEBI:179996
FEMA number	4012
JECFA number	1146

Computed Descriptors

Molecular Weight	130.18
XLogP3	1.8
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	271.4 °F at 760 mmHg (USCG, 1999)
Boiling Point	130-131 °C
Boiling Point	121 °C
Boiling Point	135 °C
Boiling Point	271 °F
Boiling Point	249 °F
Melting Point	-95.44 °F (USCG, 1999)
Melting Point	-78.5 °C
Melting Point	-148 °C
Melting Point	-95.44 °F

Physical description & handling notes

• Sec-amyl acetate is a colorless to yellow watery liquid with a weak odor of bananas. Floats on water. Produces irritating vapor. (USCG, 1999)
• Colorless liquid with a mild odor; [NIOSH]
• Liquid
• COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR.
• Clear colourless to slightly yellow liquid; herbaceous odour
• Colorless liquid with a mild odor.

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, H225, H317, H320, H336, H371, H372, H373

Documented Uses

• Used as a solvent for ethyl cellulose, nitrocellulose, printing inks; also used in the production of coatings and cements; [ACGIH]
• Pulp and Paper Processing [Category: Industry]
• Painting (Solvents) [Category: Paint]
• Working with Glues and Adhesives [Category: Other]
• It is used as a solvent for nitrocellulose & ethyl cellulose, celluloid products, cements, coated paper, lacquers, leather finishes, nail enamels, plastic wood, textile sizing & printing compounds. It is also used in the manufacture of artificial leather, linoleum, and washable wallpaper.
• SOLVENT FOR CHLORINATED RUBBER; METALLIC PAINTS, FINE PERFUMES, PEARLESCENT COATINGS ON ARTIFICIAL PEARLS

Synonyms

1-Methylbutyl acetate; 2-PENTYL ACETATE; 626-38-0; sec-Amyl acetate; 2-Pentanol, acetate; 2-Acetoxypentane; 2-pentanol acetate; 2-Pentanol, 2-acetate; Acetic acid, 2-pentyl ester; sec-Pentyl acetate; Pentyl acetate, all isomers; Acetic acid, sec-pentyl ester; HSDB 6291; EINECS 210-946-8; sek.Amylester kyseliny octove; sek.Amylester kyseliny octove [Czech]

Frequently Asked Questions

What are the CAS number and molecular formula of 2-Pentyl acetate?

CAS 626-38-0; molecular formula C7H14O2; molecular weight 130.10 g/mol.

What other names is 2-Pentyl acetate known by?

1-Methylbutyl acetate, 2-PENTYL ACETATE, 626-38-0, sec-Amyl acetate, 2-Pentanol, acetate, 2-Acetoxypentane.

What is the regulatory status of 2-Pentyl acetate?

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

Is 2-Pentyl acetate classified as hazardous?

Hazard statements reported: H226, H225, H317, H320, H336.

What are the key physical properties of 2-Pentyl acetate?

Boiling Point: 271.4 °F at 760 mmHg (USCG, 1999); Boiling Point: 130-131 °C; Boiling Point: 121 °C; Boiling Point: 135 °C.

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.