Bourgeonal

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Names

[ CAS No. ]:
18127-01-0

[ Name ]:
Bourgeonal

[Synonym ]:
3-(4-tert-butylphenyl)propanal
Benzenepropanal, 4-(1,1-dimethylethyl)-
Bourgeonal
EINECS 242-016-2
para-tert-butylhydrocinnamaldehyde
p-tert-Butylhydrocinnamic aldehyde
p-tert-Butyldihydrocinnamaldehyde
3-[4-(2-Methyl-2-propanyl)phenyl]propanal

Chemical & Physical Properties

[ Density]:
0.9±0.1 g/cm3

[ Boiling Point ]:
265.1±9.0 °C at 760 mmHg

[ Molecular Formula ]:
C13H18O

[ Molecular Weight ]:
190.281

[ Flash Point ]:
115.8±10.2 °C

[ Exact Mass ]:
190.135757

[ PSA ]:
17.07000

[ LogP ]:
3.72

[ Vapour Pressure ]:
0.0±0.5 mmHg at 25°C

[ Index of Refraction ]:
1.494

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DA8100070
CHEMICAL NAME :
Benzenepropanal, 4-(1,1-dimethylethyl)-
CAS REGISTRY NUMBER :
18127-01-0
LAST UPDATED :
199701
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C13-H18-O

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 :
2700 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 26,287,1988
TYPE OF TEST :
LDLo - Lowest published lethal dose
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 :
FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 26,287,1988

Safety Information

[ Hazard Codes ]:
Xi

[ Risk Phrases ]:
22-43-51/53-62

[ Safety Phrases ]:
36/37-61

[ HS Code ]:
2912299000

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Formaldehyde
  • 4-TERT-BUTYLSTYRENE
  • tbt
  • ch3cho
  • carbon monoxide
  • 1-Bromo-4-tert-butylbenzene
  • p-t-Butylbenzaldehyde
  • 3-(4-tert-butylphenyl)propanenitrile
  • acrolein

DownStream

  • 4-tert-Butylbenzyl alcohol
  • p-t-Butylbenzaldehyde
  • (4-tert-butylphenyl)acetic acid
  • 2-[4-(2-Methyl-2-propanyl)phenyl]ethanol
  • 3-(4-tert-butylphenyl)propanoic acid
  • 2-(4-tert-butylphenyl)acetaldehyde

Customs

[ HS Code ]: 2912299000

[ Summary ]:
2912299000. other cyclic aldehydes without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

Related Compounds

  • 5-[2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)hex-4-ynamido]-1-methyl-1H-pyrazole-4-carboxylic acid
  • 1-(3-Acetamidophenyl)-2,2-difluorocyclopropane-1-carboxylic acid
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 3-Cyano-3-methyl-2,3-dihydrobenzofuran-5-carboxylic acid
  • 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
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde