1-Penten-3-one, 1- (4-methoxyphenyl)-

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Names

[ CAS No. ]:
104-27-8

[ Name ]:
1-Penten-3-one, 1- (4-methoxyphenyl)-

[Synonym ]:
1-Penten-3-one, 1- (p-methoxyphenyl)-
EINECS 203-190-5
(1E)-1-(4-Methoxyphenyl)pent-1-en-3-one
1-Penten-3-one, 1- (4-methoxyphenyl)-
1-(4-Methoxyphenyl)-1-penten-3-one
(1E)-1-(4-Methoxyphenyl)-1-penten-3-one
1-Penten-3-one, 1-(4-methoxyphenyl)-, (1E)-

Chemical & Physical Properties

[ Density]:
1.0±0.1 g/cm3

[ Boiling Point ]:
333.2±17.0 °C at 760 mmHg

[ Molecular Formula ]:
C12H14O2

[ Molecular Weight ]:
190.238

[ Flash Point ]:
151.5±14.5 °C

[ Exact Mass ]:
190.099380

[ PSA ]:
26.30000

[ LogP ]:
2.65

[ Vapour Pressure ]:
0.0±0.7 mmHg at 25°C

[ Index of Refraction ]:
1.542

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
SB3927000
CHEMICAL NAME :
1-Penten-3-one, 1-(p-methoxyphenyl)-
CAS REGISTRY NUMBER :
104-27-8
BEILSTEIN REFERENCE NO. :
3197137
LAST UPDATED :
199709
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C12-H14-O2
MOLECULAR WEIGHT :
190.26
WISWESSER LINE NOTATION :
Q1R C1U1V2

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: 17,863,1979 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
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: 17,863,1979
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: 17,863,1979

Safety Information

[ Hazard Codes ]:
Xi

[ Risk Phrases ]:
43

[ Safety Phrases ]:
36/37

[ HS Code ]:
2914509090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 1-(4-methoxyphenyl)pent-1-en-3-ol
  • 1-Penten-3-one
  • 1-methoxy-4-(4-methylphenyl)tellanylbenzene
  • 4-Methoxybenzaldehyde
  • 2-Butanone

DownStream

  • 3-Pentanone,1-(4-methoxyphenyl)-
  • 2-[(4-methoxyphenyl)methyl]-3-methyl-2,3-dihydroinden-1-one

Customs

[ HS Code ]: 2914509090

[ Summary ]:
HS:2914509090 other ketones with other oxygen function VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

Related Compounds

  • 5-(benzylamino)-1-(4-methoxyphenyl)pent-1-en-3-one
  • 1-Penten-3-one,1-(4-chlorophenyl)-2-phenyl-5-(1-piperidinyl)-, hydrochloride (1:1)
  • 1-Penten-3-one,1-(4-chlorophenyl)-, (1E)-
  • 1-Penten-3-one,1,4-dichloro-
  • 1-Penten-3-one,1-(4-chlorophenyl)-4-methyl-
  • 1-(p-Methoxyphenyl)-5-piperidino-1-penten-3-one hydrochloride
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • Tert-butyl (3-([1,1'-biphenyl]-4-yl)prop-2-yn-1-yl)carbamate
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine
  • 4-amino-N-[2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]-N-ethylbenzenesulfonamide