4-Methylpentanal

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Names

[ CAS No. ]:
1119-16-0

[ Name ]:
4-Methylpentanal

[Synonym ]:
isovaleric aldehyde
isohexanal
Pentanal,4-methyl
i-butylmethylketone
isobutylmethylketone
isocaproaldehyde
4-Methylvaleraldehyde
Valeraldehyde,4-methyl
EINECS 214-273-0
4-Methylpentanal

Chemical & Physical Properties

[ Density]:
0.799g/cm3

[ Boiling Point ]:
118.1ºC at 760mmHg

[ Molecular Formula ]:
C6H12O

[ Molecular Weight ]:
100.16

[ Flash Point ]:
17.8ºC

[ Exact Mass ]:
100.08900

[ PSA ]:
17.07000

[ LogP ]:
1.62150

[ Vapour Pressure ]:
16.9mmHg at 25°C

[ Index of Refraction ]:
1.394

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
YV4200000
CHEMICAL NAME :
Valeraldehyde, 4-methyl-
CAS REGISTRY NUMBER :
1119-16-0
BEILSTEIN REFERENCE NO. :
0506059
LAST UPDATED :
199701
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C6-H12-O
MOLECULAR WEIGHT :
100.18
WISWESSER LINE NOTATION :
VH2Y1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Open irritation test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 23,95,1962 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
5660 uL/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 23,95,1962
TYPE OF TEST :
LCLo - Lowest published lethal concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
16000 ppm/4H
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 23,95,1962
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
4460 uL/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 23,95,1962

Safety Information

[ Hazard Codes ]:
F+

[ HS Code ]:
2912190090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • (Z)-4-methylpent-2-enoic acid
  • carbon monoxide
  • 4-Methyl-1-pentanol
  • 3-Methylbut-1-ene
  • 4-methyl-2-pentenal
  • 1-Pentene, 4-methyl-
  • (E)-4-methyl-1-morpholino-1-pentene
  • 4-methylpentanenitrile
  • 4-Methyl-3-pentene-1-one
  • 4-methylpent-3-enoic acid

DownStream

  • 4-Methyl-1-pentanol
  • 5-Isopropyl-1,3-thiazol-2-amine
  • 3-(Aminomethyl)-5-methylhexanoic acid
  • (E)-7-methyl-3-octen-2-one
  • 5-Methylnorleucine
  • 4-methyl-2-oxopentanal
  • 12-Methyltridecanoic acid
  • 2,6-dimethylhept-2-ene
  • Ethyl 6-methyl-3-oxoheptanoate
  • 2-acetamido-5-methylhexanoic acid

Customs

[ HS Code ]: 2912190090

[ Summary ]:
2912190090 acyclic aldehydes without other oxygen function。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

Related Compounds

  • 2-ethyl-4-methylpentanal
  • 3-ethoxy-4-methylpentanal
  • 2-hydroxy-4-methylpentanal
  • (2S)-2-amino-4-methylpentanal
  • Fmoc-(S)-3-amino-4-methylpentanal
  • 5-chloro-2-ethyl-4-methylpentanal
  • 7-Chloro-5-methylimidazo[1,2-c]pyrimidine-2-carboxamide
  • 4,8-Dimethyltridecanoic acid
  • 2,5-Dinitro-pyrazine
  • (2-Chloro-4-pyridinyl)(3,4-dichlorophenyl)methanone
  • 1-(3-Fluoro-5-methylphenyl)-2-methylpropan-2-amine
  • 7-propyl-4H,5H,6H,7H-thieno[2,3-c]pyridine
  • N-[(1-methyl-1H-imidazol-4-yl)methyl]hydroxylamine
  • 9-Bromo-4-nonyn-1-ol
  • 2-Pyridineethanamine, N,N-di-2-propen-1-yl-
  • 2-(9-Hydroxynon-5-yn-1-yl)isoindoline-1,3-dione
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