4-Methylpentanal

Names

[ 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

Biological Activity

[Description]:

Isocaproaldehyde is a product of side-chain cleavage of cholesterol. Isocaproaldehyde is an endogenous specific substrate of mouse vas deferens protein (MVDP)[1][2].

[Related Catalog]:

Signaling Pathways >> Others >> Others

Research Areas >> Metabolic Disease

[References]

[1]. Matsuura K, et al. Aldose reductase is a major reductase for isocaproaldehyde, a product of side-chain cleavage of cholesterol, in human and animal adrenal glands. Arch Biochem Biophys. 1996 Apr 15;328(2):265-71.

[2]. Lefrançois-Martinez AM, et al. Product of side-chain cleavage of cholesterol, isocaproaldehyde, is an endogenous specific substrate of mouse vas deferens protein, an aldose reductase-like protein in adrenocortical cells. J Biol Chem. 1999 Nov 12;274(46):32875-80.

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

DownStream

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

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