1-Phenylethyl propionate

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Names

[ CAS No. ]:
120-45-6

[ Name ]:
1-Phenylethyl propionate

[Synonym ]:
Methylbenzylpropionat
Styrallyl propionate
styrolylpropionate
1-phenylethyl propanoate
α-Methylbenzyl propionate
rac-1-phenyl-1-ethyl-propionate
1-phenylethyl
1-Phenylethyl propionate
EINECS 204-397-3
Acid ester Styrax
1-phenylethanol propionate
1-Phenylethylpropionate
MFCD00009305
STYROLYLPROPIONAT
PHENYLETHYL PROPIONATE
UNII:J5A62A7WWF
Benzenemethanol, α-methyl-, propanoate
MBA-Propionate
FEMA 2689

Chemical & Physical Properties

[ Density]:
1.0±0.1 g/cm3

[ Boiling Point ]:
229.5±9.0 °C at 760 mmHg

[ Melting Point ]:
-60°C

[ Molecular Formula ]:
C11H14O2

[ Molecular Weight ]:
178.228

[ Flash Point ]:
94.4±0.0 °C

[ Exact Mass ]:
178.099380

[ PSA ]:
26.30000

[ LogP ]:
2.81

[ Vapour Pressure ]:
0.1±0.5 mmHg at 25°C

[ Index of Refraction ]:
1.497

[ Water Solubility ]:
0.04 g/L (20 ºC)

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DP0620000
CHEMICAL NAME :
Benzyl alcohol, alpha-methyl-, propionate
CAS REGISTRY NUMBER :
120-45-6
BEILSTEIN REFERENCE NO. :
1948418
LAST UPDATED :
199701
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C11-H14-O2
MOLECULAR WEIGHT :
178.25
WISWESSER LINE NOTATION :
2VOY1&R

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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: 14,613,1976 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
5200 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: 14,613,1976
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
>5 gm/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: 14,613,1976

Safety Information

[ Personal Protective Equipment ]:
Eyeshields;Gloves

[ Hazard Codes ]:
T+

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S24/25

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
1

[ RTECS ]:
DP0620000

[ HS Code ]:
2915509000

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Methylbenzylalcohol
  • Propanoic acid,4-chlorophenyl ester
  • phenylmethanediol,propanoic acid
  • methyl iodide
  • Propionic anhydride
  • tert-Butyl Hydroperoxide
  • phenylene-ethylene
  • n-Ethyl propanoate
  • Methanediol, 1-phenyl-,1,1-diacetate

DownStream

  • Methylbenzylalcohol
  • (±)-1-phenylethanol
  • (R)-(+)-1-Phenylethanol
  • S-(+)-2-octanol
  • (R)-(−)-2-Octanol
  • (2R)-octan-2-ol,propanoic acid
  • R(+)-1-phenyl-1-ethyl propionate
  • 1-Phenylethyl propionate

Customs

[ HS Code ]: 2915509000

[ Summary ]:
2915509000 propionic acid, its salts and esters。supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward)。VAT:17.0%。tax rebate rate:9.0%。MFN tariff:5.5%。general tariff:30.0%

Related Compounds

  • 1-Phenylethyl propionate
  • .(R)-1-phenylethyl propionate
  • (S)-2-((2S,6R)-6-((R)-2-hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl)-1-phenylethyl propionate
  • 1-phenylethyl 2-(6-methoxynaphthalen-2-yl)propionate
  • (1-Phenylethyl)carbamic acid 3-methyloctyl ester
  • 1-phenylethyl 2-chloroacetoacetate
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • 3-cinnamyl-8-(2-(2-hydroxyethoxy)ethyl)-1,7-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • 2-(1,3-Dioxolan-2-yl)-6-nitrobenzeneacetonitrile
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine