Benzenepropanol,1-acetate

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

DownStream

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%