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
2-[4-(3-Bromo-2-pyridinyl)-1-piperazinyl]-5,7-bis(trifluoromethyl)-1H-benzimidazole
Ethyl 3-formyl[1,1a(2)-biphenyl]-4-carboxylate
Ethyl 3-[(dimethylamino)methyl][1,1a(2)-biphenyl]-4-carboxylate
3-(1-Bromo-ethyl)-5-(3-chloro-phenyl)-[1,2,4]oxadiazole
4-(4-Cyclopropyl-5-methanesulfonyl-4H-[1,2,4]triazol-3-yl)-pyridine
1-[5-(3-Chlorophenyl)-1,2,4-oxadiazol-3-yl]ethanol
1-[5-(5-Chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethanol
3-(5-Chloromethyl-[1,2,4]oxadiazol-3-YL)-benzonitrile
4-(4-cyclopropyl-4H-[1,2,4]triazol-3-yl)-pyridine
3-(1-Chloroethyl)-5-(3-chlorophenyl)-[1,2,4]oxadiazole

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