Benzenepropanol,1-acetate

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Names

[ CAS No. ]:
122-72-5

[ Name ]:
Benzenepropanol,1-acetate

[Synonym ]:
3-Phenyl-1-propanol,acetate
3-PHENYLPROPYL ACETATE
2-acetoxypropyl benzene
tolueneethyl acetate
Benzenepropanol,acetate
Acetic Acid 3-Phenylpropyl Ester
Benzenepropyl acetate
Phenylpropyl acetate
Hydrocinnamyl Acetate
PhCH2CH2CH2OAc
EINECS 204-569-8
3-Phenyl-1-propyl acetate
3-Acetoxy-1-phenylpropane
MFCD00026216

Chemical & Physical Properties

[ Density]:
1.012 g/mL at 25 °C(lit.)

[ Boiling Point ]:
244 °C(lit.)

[ Melting Point ]:
-60 °C

[ Molecular Formula ]:
C11H14O2

[ Molecular Weight ]:
178.22800

[ Flash Point ]:
>230 °F

[ Exact Mass ]:
178.09900

[ PSA ]:
26.30000

[ LogP ]:
2.18230

[ Vapour Pressure ]:
0.0106mmHg at 25°C

[ Index of Refraction ]:
n20/D 1.496(lit.)

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UB9000000
CHEMICAL NAME :
1-Propanol, 3-phenyl-, acetate
CAS REGISTRY NUMBER :
122-72-5
BEILSTEIN REFERENCE NO. :
0744307
LAST UPDATED :
199701
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C11-H14-O2
MOLECULAR WEIGHT :
178.25
WISWESSER LINE NOTATION :
1VO3R

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
4700 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: 12,965,1974
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: 12,965,1974

Safety Information

[ Safety Phrases ]:
S24/25

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
2

[ RTECS ]:
UB9000000

[ HS Code ]:
2915390090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 3-Phenylpropan-1-ol
  • Ethanoic anhydride
  • Sodium acetate
  • (3-Chloropropyl)benzene
  • Ammonium acetate
  • Cinnamyl acetat
  • Acetyl chloride
  • acetic acid
  • (E)-cinnamyl acetate
  • Isopropenyl acetate

DownStream

  • 2-hydroxy-1-[4-(3-hydroxypropyl)phenyl]-2-methylpropan-1-one
  • 3-Phenylpropan-1-ol
  • Phenol
  • (3-ethoxypropyl)benzene
  • 1-Phenyl-3-(triethylsiloxy)propane
  • Benzene,[(3-phenylpropyl)thio]-
  • (3-oxo-3-phenylpropyl) acetate
  • 1-Brom-3-acetoxy-1-phenyl-propan
  • 3-(4-acetylphenyl)propyl acetate
  • 4-(3-hydroxypropyl)benzoic acid

Customs

[ HS Code ]: 2915390090

[ Summary ]:
2915390090. esters of acetic acid. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward). MFN tariff:5.5%. General tariff:30.0%

Related Compounds

  • Benzenepropanol, a-(4-chlorophenyl)-, 1-acetate
  • Benzenepropanol, 4-(acetyloxy)-a-methyl-, 1-acetate
  • Benzenepropanol,4-chloro-a-phenyl-, 1-acetate
  • Benzenepropanol,4-methoxy-a-phenyl-, 1-acetate
  • Benzenepropanol,1-propanoate
  • Cyclooctanol, 1-acetate
  • N-(3,5-dimethoxyphenyl)-2-((1-(2-(dimethylamino)ethyl)-2-oxo-1,2,5,6,7,8-hexahydroquinazolin-4-yl)thio)acetamide
  • N-(4-fluorophenyl)-2-({1-[3-(morpholin-4-yl)propyl]-2-oxo-1,2,5,6,7,8-hexahydroquinazolin-4-yl}sulfanyl)acetamide
  • N-(2,5-dimethylphenyl)-2-((1-(3-morpholinopropyl)-2-oxo-1,2,5,6,7,8-hexahydroquinazolin-4-yl)thio)acetamide
  • 2-((1-(3-(dimethylamino)propyl)-2-oxo-1,2,5,6,7,8-hexahydroquinazolin-4-yl)thio)-N-(3-methoxyphenyl)acetamide
  • 5-amino-1-(4-bromobenzyl)-N-(2-bromo-4-methylphenyl)-1H-1,2,3-triazole-4-carboxamide
  • 5-amino-1-(3-bromobenzyl)-N-(2-chloro-4-methylphenyl)-1H-1,2,3-triazole-4-carboxamide
  • 2-[(3-butyl-4-oxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(3,4-dimethylphenyl)acetamide
  • 2-Allyloxy-1-chloromethyl-naphthalene
  • (4E)-2-(4-methoxy-3-propan-2-ylphenyl)-5,9-dimethyldeca-4,8-dienenitrile
  • 5,5"-Dimethyl-4,4"-diphenyl-2,2':6',2"-terpyridine
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