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Phenethyl propionate

CAS 122-70-3C11H14O2MW 178.10 g/mol

Phenethyl propionate (CAS 122-70-3) — formula C11H14O2, molecular weight 178.10 g/mol.

Specifications

CAS Number122-70-3
Molecular FormulaC11H14O2
Molecular Weight178.10 g/mol
Melting Point< 25 °C
Boiling Point244.00 to 245.00 °C. @ 760.00 mm Hg
LogP2.8

Purchase Profile

What this product is

Phenethyl propionate is a chemical compound with CAS registry number 122-70-3 and molecular formula C11H14O2 (molecular weight 178.10 g/mol).

Identification

CAS number: 122-70-3

Its molecular formula C11H14O2 comprises 11 C, 14 H, 2 O atoms.

Also known as: Phenethyl propionate · PHENYL ETHYL PROPIONATE · 2-phenylethyl propionate

Frequently Asked Questions

What is the CAS number of Phenethyl propionate?

The CAS registry number of Phenethyl propionate is 122-70-3.

What is the molecular formula and molecular weight of Phenethyl propionate?

Molecular formula C11H14O2, molecular weight 178.10 g/mol.

What other names is Phenethyl propionate known by?

It is also registered under: Phenethyl propionate, PHENYL ETHYL PROPIONATE, 2-phenylethyl propionate.

PubChem Public Data

Public-database records for Phenethyl propionate (CAS 122-70-3), reproduced here for independent cross-checking.

Safety classification and hazard statements

GHS notification summary100% (1564 / 1564)

This chemical does not meet GHS hazard criteria for 100% (1564 of 1564) of all reports.

Reported as not meeting GHS hazard criteria by 1564 of 1564 companies. For more detailed information, please visit ECHA C&L website.

Regulatory listings

Regulatory & Food ContactEU 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 summary100% (1564 / 1564)

Physical description and 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

Reported physical properties

沸点244.00 to 245.00 °C. @ 760.00 mm Hg
沸点244-245 °C
熔点< 25 °C
密度1.02 at 25/25 °C
密度1.010-1.021
蒸气压0.05 [mmHg]
折射率1.489-1.499

How this substance is indexed

CAS Registry Number122-70-3
PubChem CID31225
分子式C11H14O2
分子量178.10 g/mol
IUPAC 名称2-phenylethyl propanoate
InChIKeyHVGZQCSMLUDISR-UHFFFAOYSA-N
UNII(FDA)9VFI60EUHW
ChEBI 编号CHEBI:173825
FEMA 编号2867
JECFA 编号990

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

Names this substance appears under

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

Computed molecular descriptors

分子量178.23
XLogP32.8
氢键供体数0
氢键受体数2
可旋转键数5
精确质量178.099379685
单同位素质量178.099379685
拓扑极性表面积26.3
重原子数13
形式电荷0

Database abstract

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. 沸点: 244.00 to 245.00 °C. @ 760.00 mm Hg; 沸点: 244-245 °C; 熔点: < 25 °C.

Source: PubChem / Wikidata; the batch COA governs where values differ.

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