3',4',5'-Trifluoroacetophenone

Names

[ CAS No. ]:
141-73-1

[ Name ]:
3',4',5'-Trifluoroacetophenone

[Synonym ]:
Pent-Oxol
AC1L2WBS
4-methoxy-4-methyl-pentan-2-ol
MFCD00046654
Pent-Oxol Solvent
2-Hydroxy-4-methyl-4-methoxy-pentan
CTK4C2773
2-Pentanol,4-methoxy-4-methyl
4-METHOXY-4-METHYL-2-PENTANOL

Chemical & Physical Properties

[ Density]:
0.89g/cm3

[ Boiling Point ]:
172.7ºC at 760mmHg

[ Molecular Formula ]:
C7H16O2

[ Molecular Weight ]:
132.20100

[ Flash Point ]:
53.4ºC

[ Exact Mass ]:
132.11500

[ PSA ]:
29.46000

[ LogP ]:
1.18230

[ Vapour Pressure ]:
0.413mmHg at 25°C

[ Index of Refraction ]:
1.421

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
SA7000000
CHEMICAL NAME :
2-Pentanol, 4-methoxy-4-methyl-
CAS REGISTRY NUMBER :
141-73-1
BEILSTEIN REFERENCE NO. :
1734421
LAST UPDATED :
199712
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C7-H16-O2
MOLECULAR WEIGHT :
132.23
WISWESSER LINE NOTATION :
QY1&1X1&1&O1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
2 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
SCCUR* Shell Chemical Company. Unpublished Report. (2401 Crow Canyon Rd., San Romon, CA 94583) Volume(issue)/page/year: -,6,1961
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2650 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
SCCUR* Shell Chemical Company. Unpublished Report. (2401 Crow Canyon Rd., San Romon, CA 94583) Volume(issue)/page/year: -,6,1961

Safety Information

[ Hazard Codes ]:
Xi

[ Risk Phrases ]:
36/37/38

[ Safety Phrases ]:
24/25

[ RTECS ]:
SA7000000

[ HS Code ]:
2909499000

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 4-methoxy-4-methyl-2-pentanone
  • 3-(benzylsulfanyl)-6-methyl-1,2,4-triazin-5(2H)-one

DownStream

Customs

[ HS Code ]: 2909499000

[ Summary ]:
2909499000. ether-alcohols and their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:9.0%. . MFN tariff:5.5%. General tariff:30.0%

Related Compounds

  • 3',4',5'-Trifluoroacetophenone
  • 3',4',5',3,5,6,7-Heptamethoxyflavone
  • (3',4',5'-Trifluoro-4-biphenylyl)boronic acid
  • 3',4',5'-Trimethoxyacetophenone
  • 3',4',5'-Trimethylacetophenone thiosemicarbazone
  • 3',4',5'-trimethylacetanilide
  • 3',4',5',6'-tetrakis(4-carboxyphenyl)-[1,1':2',1''-Terphenyl]-4,4''-dicarboxylic acid