3-苯丙酸乙酯

Description

ethyl 3-phenylpropionate is identified by CAS 2021-28-5, molecular formula C11H14O2 and molecular weight 178.10 g/mol. UNII 58E9Z9V64D; ChEBI 173833; InChIKey JAGZUIGGHGTFHO-UHFFFAOYSA-N. Boiling Point: 477 °F at 760 mmHg (NTP, 1992); Boiling Point: 247.00 to 249.00 °C. @ 760.00 mm Hg; Boiling Point: 247-249 °C.

Identification

CAS Registry Number	2021-28-5
PubChem CID	16237
Molecular formula	C11H14O2
Molecular weight	178.10 g/mol
IUPAC name	ethyl 3-phenylpropanoate
InChIKey	JAGZUIGGHGTFHO-UHFFFAOYSA-N
UNII (FDA)	58E9Z9V64D
ChEBI ID	CHEBI:173833
FEMA number	2455
JECFA number	644

Computed Descriptors

Molecular Weight	178.23
XLogP3	2.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	178.099379685
Monoisotopic Mass	178.099379685
Topological Polar Surface Area	26.3
Heavy Atom Count	13
Formal Charge	0

Physical & Chemical Properties

Boiling Point	477 °F at 760 mmHg (NTP, 1992)
Boiling Point	247.00 to 249.00 °C. @ 760.00 mm Hg
Boiling Point	247-249 °C
Solubility	0.22 mg/mL at 25 °C
Density	1.009-1.017
LogP	2.73
Refractive Index	1.492-1.497

Physical description & handling notes

• Ethyl phenylpropionate is a clear colorless liquid. (NTP, 1992)
• Colourless, somewhat oily liquid, sweet, fruity, honey-like odour
• less than 1 mg/mL at 77 °F (NTP, 1992)
• insoluble in water; soluble in oils
• miscible (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 Flower, Honey No safety concern at current levels of intake when used as a flavouring agent
GHS notification summary	98.6% (146 / 148)

GHS Hazard Classification

GHS notification summary	98.6% (146 / 148)

Documented Uses

• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Flavoring Agents -> JECFA Flavorings Index
• Benzenepropanoic acid, ethyl ester: ACTIVE

Synonyms

Ethyl 3-phenylpropionate; Ethyl 3-phenylpropanoate; 2021-28-5; Ethyl hydrocinnamate; Benzenepropanoic acid, ethyl ester; 3-Phenylpropionic Acid Ethyl Ester; Hydrocinnamic acid, ethyl ester; ETHYL BENZENEPROPANOATE; Ethylhydrocinnamoate; Ethylphenyl propanoate; FEMA No. 2455; DTXSID9047095; 58E9Z9V64D; NSC-126040; UNII-58E9Z9V64D; EINECS 217-966-6

Frequently Asked Questions

What are the CAS number and molecular formula of ethyl 3-phenylpropionate?

CAS 2021-28-5; molecular formula C11H14O2; molecular weight 178.10 g/mol.

What other names is ethyl 3-phenylpropionate known by?

Ethyl 3-phenylpropionate, Ethyl 3-phenylpropanoate, 2021-28-5, Ethyl hydrocinnamate, Benzenepropanoic acid, ethyl ester, 3-Phenylpropionic Acid Ethyl Ester.

What is the regulatory status of ethyl 3-phenylpropionate?

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

Is ethyl 3-phenylpropionate classified as hazardous?

98.6% of GHS notifications report no hazard classification (146 of 148).

What are the key physical properties of ethyl 3-phenylpropionate?

Boiling Point: 477 °F at 760 mmHg (NTP, 1992); Boiling Point: 247.00 to 249.00 °C. @ 760.00 mm Hg; Boiling Point: 247-249 °C; Solubility: 0.22 mg/mL at 25 °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.