2-苯乙酯戊酸

Description

Pentanoic acid,2-phenylethyl ester · CAS 7460-74-4 · C13H18O2. UNII ZXI2952JET. Boiling Point: 268.00 °C. @ 760.00 mm Hg.

Identification

CAS Registry Number	7460-74-4
PubChem CID	81964
Molecular formula	C13H18O2
IUPAC name	2-phenylethyl pentanoate
UNII (FDA)	ZXI2952JET

Computed Descriptors

Molecular Weight	206.28
XLogP3	3.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	7
Exact Mass	206.130679813
Monoisotopic Mass	206.130679813
Topological Polar Surface Area	26.3
Heavy Atom Count	15
Formal Charge	0

Physical & Chemical Properties

Boiling Point	268.00 °C. @ 760.00 mm Hg

Regulatory Status

Regulatory & Food Contact	EU Flavoring substances Flavoring Agents

Documented Uses

• Pentanoic acid, 2-phenylethyl ester: ACTIVE

Synonyms

Phenethyl valerate; 2-Phenylethyl pentanoate; Pentanoic acid, 2-phenylethyl ester; Phenylethyl valerate; beta-PHENYLETHYL VALERATE; UNII-ZXI2952JET; ZXI2952JET; NSC 404213; EINECS 231-246-9; NSC-404213; valeric acid phenethyl ester; AI3-02945; DTXSID9064712; CHEBI:87323; Valerate phenethyl ester; 2-Phenethyl valeric acid

Frequently Asked Questions

What are the CAS number and molecular formula of Pentanoic acid,2-phenylethyl ester?

CAS 7460-74-4; molecular formula C13H18O2; molecular weight — g/mol.

What other names is Pentanoic acid,2-phenylethyl ester known by?

Phenethyl valerate, 2-Phenylethyl pentanoate, Pentanoic acid, 2-phenylethyl ester, Phenylethyl valerate, beta-PHENYLETHYL VALERATE, UNII-ZXI2952JET.

What is the regulatory status of Pentanoic acid,2-phenylethyl ester?

Documented regulatory listings: EU Flavoring substances; Flavoring Agents.

What are the key physical properties of Pentanoic acid,2-phenylethyl ester?

Boiling Point: 268.00 °C. @ 760.00 mm Hg.

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.