Allyl phenylacetate

Modify Date: 2025-08-25 05:52:44

Allyl phenylacetate Structure
Allyl phenylacetate structure
Common Name Allyl phenylacetate
CAS Number 1797-74-6 Molecular Weight 176.212
Density 1.0±0.1 g/cm3 Boiling Point 254.6±9.0 °C at 760 mmHg
Molecular Formula C11H12O2 Melting Point N/A
MSDS USA Flash Point 112.3±17.1 °C
Symbol GHS07
GHS07
Signal Word Warning

 Names

Name prop-2-enyl 2-phenylacetate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.0±0.1 g/cm3
Boiling Point 254.6±9.0 °C at 760 mmHg
Molecular Formula C11H12O2
Molecular Weight 176.212
Flash Point 112.3±17.1 °C
Exact Mass 176.083725
PSA 26.30000
LogP 2.81
Vapour Pressure 0.0±0.5 mmHg at 25°C
Index of Refraction 1.513
InChIKey ZCDYAMJXVAUTIM-UHFFFAOYSA-N
SMILES C=CCOC(=O)Cc1ccccc1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AJ2450000
CHEMICAL NAME :
Acetic acid, phenyl-, allyl ester
CAS REGISTRY NUMBER :
1797-74-6
BEILSTEIN REFERENCE NO. :
1867491
LAST UPDATED :
199701
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C11-H12-O2
MOLECULAR WEIGHT :
176.23
WISWESSER LINE NOTATION :
1U2OV1R

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Human
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 15,621,1977
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 15,621,1977 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
650 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 15,621,1977

 Safety Information

Symbol GHS07
GHS07
Signal Word Warning
Hazard Statements H302-H312-H315-H319-H332-H335
Precautionary Statements P261-P280-P305 + P351 + P338
Personal Protective Equipment Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes Xn: Harmful;
Risk Phrases R20/21/22;R36/37/38
Safety Phrases S26-S37/39
RIDADR NONH for all modes of transport
WGK Germany 3
RTECS AJ2450000
HS Code 2916399090

 Synthetic Route

~95%

Allyl phenylacetate Structure

Allyl phenylacetate

CAS#:1797-74-6

Literature: Hwu, Jih Ru; Hsu, Chuan-Yi; Jain, Moti L. Tetrahedron Letters, 2004 , vol. 45, # 26 p. 5151 - 5154

~99%

Allyl phenylacetate Structure

Allyl phenylacetate

CAS#:1797-74-6

Literature: Junggebauer, Joerg; Neumann, Wilhelm P. Tetrahedron, 1997 , vol. 53, # 4 p. 1301 - 1310

~%

Allyl phenylacetate Structure

Allyl phenylacetate

CAS#:1797-74-6

Literature: Journal of the Chemical Society, , p. 335,342

~63%

Allyl phenylacetate Structure

Allyl phenylacetate

CAS#:1797-74-6

Literature: Puntambekar, Hemalata M; Naik, D G; Kapadi, A H Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1993 , vol. 32, # 7 p. 793 - 794

~29%

Allyl phenylacetate Structure

Allyl phenylacetate

CAS#:1797-74-6

Literature: Coleman, M. Todd Synthetic Communications, 2012 , vol. 42, # 13 p. 1911 - 1913

~92%

Allyl phenylacetate Structure

Allyl phenylacetate

CAS#:1797-74-6

Literature: Remme, Nicole; Koschek, Katharina; Schneider, Christoph Synlett, 2007 , # 3 p. 491 - 493

~%

Allyl phenylacetate Structure

Allyl phenylacetate

CAS#:1797-74-6

Literature: Heterocycles, , vol. 30, # 2 p. 789 - 793

~%

Allyl phenylacetate Structure

Allyl phenylacetate

CAS#:1797-74-6

Literature: Synthesis, , # 2 p. 112 - 114

~%

Allyl phenylacetate Structure

Allyl phenylacetate

CAS#:1797-74-6

Literature: Helvetica Chimica Acta, , vol. 74, # 5 p. 1102 - 1118

 Customs

HS Code 2916399090
Summary 2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

 Synonyms

2-propen-1-yl 3-phenylacetate
ACETIC ACID,PHENYL-,ALLYL ESTER
Allyl phenylacetate
2-Propenyl benzeneacetate
Benzeneacetic acid,2-propenyl ester
EINECS 217-281-2
Phenylacetic Acid Allyl Ester
prop-2-enyl phenylacetate
phenyl-acetic acid allyl ester
Benzeneacetic acid, 2-propen-1-yl ester
MFCD00048176
allyl 2-phenylacetate
Phenyl-essigsaeure-allylester
2-Propenyl phenylacetate
FEMA No. 2039
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