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18127-01-0

18127-01-0 structure
18127-01-0 structure

Name 3-(4-tert-butylphenyl)propanal
Synonyms 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
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

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
Hazard Codes Xi
Risk Phrases 22-43-51/53-62
Safety Phrases 36/37-61
HS Code 2912299000

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Literature: Tetrahedron Letters, , vol. 54, # 18 p. 2209 - 2211

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Literature: US2010/256421 A1, ; Page/Page column 3 ;

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Literature: Applied Organometallic Chemistry, , vol. 27, # 5 p. 313 - 317

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Literature: Organic Letters, , vol. 5, # 24 p. 4701 - 4703

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Literature: Helvetica Chimica Acta, , vol. 61, # 7 p. 2560 - 2578

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18127-01-0

Literature: Helvetica Chimica Acta, , vol. 61, # 7 p. 2560 - 2578

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Literature: Bulletin de la Societe Chimique de France, , p. 1194 - 1198

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Detail
Literature: Tetrahedron Letters, , vol. 33, # 1 p. 83 - 84

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18127-01-0 structure

18127-01-0

Literature: Tetrahedron Letters, , vol. 33, # 1 p. 83 - 84
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%