丙酸2-苯乙酯

Description

Phenethyl propionate is identified by CAS 122-70-3, molecular formula C11H14O2 and molecular weight 178.10 g/mol. UNII 9VFI60EUHW; ChEBI 173825; InChIKey HVGZQCSMLUDISR-UHFFFAOYSA-N. Boiling Point: 244.00 to 245.00 °C. @ 760.00 mm Hg; Boiling Point: 244-245 °C; Melting Point: < 25 °C.

Identification

CAS Registry Number	122-70-3
PubChem CID	31225
Molecular formula	C11H14O2
Molecular weight	178.10 g/mol
IUPAC name	2-phenylethyl propanoate
InChIKey	HVGZQCSMLUDISR-UHFFFAOYSA-N
UNII (FDA)	9VFI60EUHW
ChEBI ID	CHEBI:173825
FEMA number	2867
JECFA number	990

Computed Descriptors

Molecular Weight	178.23
XLogP3	2.8
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	244.00 to 245.00 °C. @ 760.00 mm Hg
Boiling Point	244-245 °C
Melting Point	< 25 °C
Density	1.02 at 25/25 °C
Density	1.010-1.021
Vapor Pressure	0.05 [mmHg]
Refractive Index	1.489-1.499

Physical description & handling notes

• Liquid
• Colorless liquid with an odor of flowers or fruit; [HSDB]
• Solid
• Colourless or yellowish slighty oily liquid; very sweet odour reminiscent of red rose with a fruity undertone
• Colorless liquid
• Flower fruit odor

Regulatory Status

Regulatory & Food Contact	EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Floral No safety concern at current levels of intake when used as a flavouring agent
GHS notification summary	100% (1564 / 1564)

GHS Hazard Classification

GHS notification summary	100% (1564 / 1564)

Documented Uses

• Used as an insect attractant of Japanese beetles in orchards; [HSDB] Used as flavoring agent or adjuvant; [ToxPlanet: FDA]
• ...Used widely for monitoring new infestations of the Japanese beetle Popillia japonica and for removal trapping in orchards.
• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Flavoring Agents -> JECFA Flavorings Index
• Information on 13 consumer products that contain 2-Phenyl ethyl propionate in the following categories is provided:
• (1990) 10 thousand-500 thousand pounds

Synonyms

2-Phenylethyl propionate; 122-70-3; Phenethyl propionate; 2-Phenylethyl propanoate; Propanoic acid, 2-phenylethyl ester; Phenylethyl propionate; Caswell No. 655D; FEMA No. 2867; UNII-9VFI60EUHW; NSC-404457; HSDB 7428; EINECS 204-567-7; phenyl ethyl propionate; DTXSID6035156; EPA Pesticide Chemical Code 102601; BRN 2097455

Frequently Asked Questions

What are the CAS number and molecular formula of Phenethyl propionate?

CAS 122-70-3; molecular formula C11H14O2; molecular weight 178.10 g/mol.

What other names is Phenethyl propionate known by?

2-Phenylethyl propionate, 122-70-3, Phenethyl propionate, 2-Phenylethyl propanoate, Propanoic acid, 2-phenylethyl ester, Phenylethyl propionate.

What is the regulatory status of Phenethyl propionate?

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

Is Phenethyl propionate classified as hazardous?

100% of GHS notifications report no hazard classification (1564 of 1564).

What are the key physical properties of Phenethyl propionate?

Boiling Point: 244.00 to 245.00 °C. @ 760.00 mm Hg; Boiling Point: 244-245 °C; Melting Point: < 25 °C; Density: 1.02 at 25/25 °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.