CAS Number1119-16-0
Synonymsisovaleric aldehyde; isohexanal; Pentanal,4-methyl; i-butylmethylketone; isobutylmethylketone; isocaproaldehyde; 4-Methylvaleraldehyde; Valeraldehyde,4-methyl; EINECS 214-273-0; 4-Methylpentanal
Molecular FormulaC6H12O1
Molecular Weight100.16
Purity98%%
Density0.799g/cm3
Boiling Point118.1ºC at 760mmHg
AppearanceFlammable liquid
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 1119-16-0 |
| Catalog No. | 2A-9061639 |
| Chinese Name | 4-甲基戊醛 |
| Synonyms | isovaleric aldehyde; isohexanal; Pentanal,4-methyl; i-butylmethylketone; isobutylmethylketone; isocaproaldehyde; 4-Methylvaleraldehyde; Valeraldehyde,4-methyl; EINECS 214-273-0; 4-Methylpentanal |
| Molecular Formula | C6H12O1 |
| Molecular Weight | 100.16 |
| Purity | 98% |
| Density | 0.799g/cm3 |
| Boiling Point | 118.1ºC at 760mmHg |
| Appearance | Flammable liquid |
| Storage Condition | The warehouse is ventilated and dried at low tempe |
| Application | Isohexanal is a product of cholesterol side chain cleavage. Isohexanal is an endogenous specific substrate of mouse vas deferens protein (MVDP) [1][2]. |
| HTC | 2912190090 |
| MDL Number | MFCD00871507 |
| SMILES | CC(C)CCC=O |
| InChI | InChI=1S/C6H12O/c1-6(2)4-3-5-7/h5-6H,3-4H2,1-2H3 |
| InChI Key | InChIKey=JGEGJYXHCFUMJF-UHFFFAOYSA-N |
| MSDS | msds/61639_1_1119_16_0.pdf |
| Use of | Isocaproaldehyde is a product of side-chain cleavage of cholesterol. Isocaproaldehyde is an endogenous specific substrate of mouse vas deferens protein (MVDP)[1][2]. Properties Name 4-methylpentanal Synonym More Synonyms 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 Molecular Formula C6H12O Exact Mass 100.08900 PSA 17.07000 LogP 1.62150 Index of Refraction 1.394 Toxicological Information CHEMICAL IDENTIFICATION RTECS NUMBER : CHEMICAL NAME : Valeraldehyde, 4-methyl- CAS REGISTRY NUMBER : BEILSTEIN REFERENCE NO. : LAST UPDATED : DATA ITEMS CITED : MOLECULAR FORMULA : MOLECULAR WEIGHT : WISWESSER LINE NOTATION : 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 : 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 (Z)-4-methylpen... carbon monoxide 201230-82-2 4-Methylpentana... Literature: Angewandte Chemie - International Edition, , vol. 47, # 21 p. 3946 - 3949 4-Methyl-1-pent... 4-Methylpentana... Literature: Chemistry - A European Journal, , vol. 17, # 42 p. 11780 - 11788 carbon monoxide 201230-82-2 3-Methylbut-1-e... 2,3-dimethylbut... 73739-24-9 2,3-dimethylbut... 49642-48-0 Literature: Journal of the American Chemical Society, , vol. 119, # 19 p. 4413 - 4423 Precursor & DownStream Precursor 10 CAS#:1775-44-6 (Z)-4-methylpen... CAS#:201230-82-2 carbon monoxide CAS#:626-89-1 4-Methyl-1-pentanol CAS#:563-45-1 3-Methylbut-1-ene DownStream 10 CAS#:626-89-1 4-Methyl-1-pentanol CAS#:101080-15-3 5-Isopropyl-1,3... CAS#:128013-69-4 3-(Aminomethyl)... CAS#:33046-81-0 (E)-7-methyl-3-... |
| Tax Rebate | 9.0% |
| Supervision | None. MFN tariff: 5.5%. Ordinary tariff: 30.0% |
| Transport Info | Product name: 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% |
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