2,2,2-Trichloro-1-phenylethyl acetate

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Names

[ CAS No. ]:
90-17-5

[ Name ]:
2,2,2-Trichloro-1-phenylethyl acetate

[Synonym ]:
MFCD00000804
2,2,2-Trichloro-1-phenylethyl acetate
Benzenemethanol, α-(trichloromethyl)-, acetate
GXGGYR&OV1
α-(Trichloromethyl)benzyl acetate
Acetic acid, α-(trichloromethyl)benzyl ester
EINECS 201-972-0

Chemical & Physical Properties

[ Density]:
1.4±0.1 g/cm3

[ Boiling Point ]:
351.0±37.0 °C at 760 mmHg

[ Melting Point ]:
86-89 °C(lit.)

[ Molecular Formula ]:
C10H9Cl3O2

[ Molecular Weight ]:
267.536

[ Flash Point ]:
145.1±25.5 °C

[ Exact Mass ]:
265.966827

[ PSA ]:
26.30000

[ LogP ]:
3.66

[ Vapour Pressure ]:
0.0±0.8 mmHg at 25°C

[ Index of Refraction ]:
1.546

[ Stability ]:
Stable. Incompatible with strong oxidizing agents.

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AJ8375000
CHEMICAL NAME :
Acetic acid, alpha-(trichloromethyl)benzyl ester
CAS REGISTRY NUMBER :
90-17-5
BEILSTEIN REFERENCE NO. :
2270144
LAST UPDATED :
199712
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C10-H9-Cl3-O2
MOLECULAR WEIGHT :
267.54
WISWESSER LINE NOTATION :
GXGGYR&OV1

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: 13,919,1975 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
6800 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: 13,919,1975
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
>2 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: 13,919,1975 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X1099 No. of Facilities: 927 (estimated) No. of Industries: 4 No. of Occupations: 6 No. of Employees: 10073 (estimated) No. of Female Employees: 4785 (estimated)

Safety Information

[ Personal Protective Equipment ]:
Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
2

[ RTECS ]:
AJ8375000

Synthetic Route

Precursor & DownStream

Precursor

  • Ethanoic anhydride
  • 2,2,2-Trichloro-1-phenylethanol
  • Chloroform
  • Methanediol, 1-phenyl-,1,1-diacetate
  • Benzaldehyde
  • acetic acid
  • Chloral
  • benzene
  • Acetyl chloride

DownStream

  • Phenylacetylene

Related Compounds

  • (2,2,2-trichloro-1-phenylethyl) acetate
  • 2,2,2-trichloro-1-phenylethyl phenylacetate
  • 2,2,2-trichloro-1-phenylethyl isobutyrate
  • (2,2,2-trichloro-1-phenylethyl) 4-(dimethylamino)benzoate
  • N-(2,2,2-trichloro-1-phenylethyl)propan-2-amine
  • N-(2,2,2-trichloro-1-phenylethyl)acrylamide