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

Modify Date: 2025-08-23 11:23:26

2,2,2-Trichloro-1-phenylethyl acetate Structure
2,2,2-Trichloro-1-phenylethyl acetate structure
 Common Name 2,2,2-Trichloro-1-phenylethyl acetate
CAS Number 90-17-5 Molecular Weight 267.536
Density 1.4±0.1 g/cm3 Boiling Point 351.0±37.0 °C at 760 mmHg
Molecular Formula C10H9Cl3O2 Melting Point 86-89 °C(lit.)
MSDS Chinese USA Flash Point 145.1±25.5 °C

 Names

Name α-(Trichloromethyl)benzyl acetate
Synonym More Synonyms

 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.

 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

Ethanoic anhydride structure

Ethanoic anhydride

CAS#:108-24-7

2,2,2-Trichloro-1-phenylethanol structure

2,2,2-Trichloro...

CAS#:2000-43-3

~88%

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

2,2,2-Trichloro...

CAS#:90-17-5

Literature: Ram, Ram N.; Meher, Nabin Kumar Organic Letters, 2003 , vol. 5, # 2 p. 145 - 147
Chloroform structure

Chloroform

CAS#:67-66-3

Methanediol, 1-phenyl-,1,1-diacetate structure

Methanediol, 1-...

CAS#:581-55-5

~86%

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

2,2,2-Trichloro...

CAS#:90-17-5

Literature: Kryshtal, Galina V.; Zhdankina, Galina M.; Zlotin, Sergei G. European Journal of Organic Chemistry, 2008 , # 10 p. 1777 - 1782
Benzaldehyde structure

Benzaldehyde

CAS#:100-52-7

~%

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

2,2,2-Trichloro...

CAS#:90-17-5

Literature: Journal of Organic Chemistry, , vol. 72, # 6 p. 2220 - 2223
2,2,2-Trichloro-1-phenylethanol structure

2,2,2-Trichloro...

CAS#:2000-43-3

~%

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

2,2,2-Trichloro...

CAS#:90-17-5

Literature: Collection of Czechoslovak Chemical Communications, , vol. 15, p. 520,523
acetic acid structure

acetic acid

CAS#:64-19-7

Chloral structure

Chloral

CAS#:75-87-6

benzene structure

benzene

CAS#:71-43-2

~%

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

2,2,2-Trichloro...

CAS#:90-17-5

Literature: Monatshefte fuer Chemie, , vol. 84, p. 1228,1231
2,2,2-Trichloro-1-phenylethanol structure

2,2,2-Trichloro...

CAS#:2000-43-3

Acetyl chloride structure

Acetyl chloride

CAS#:75-36-5

~%

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

2,2,2-Trichloro...

CAS#:90-17-5

Literature: Zhurnal Russkago Fiziko-Khimicheskago Obshchestva, , vol. 29, p. 111 Chem. Zentralbl., , vol. 68, # I p. 1015

 Synonyms

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
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