2,4-Pentanediol,2-methyl-, 2,4-diacetate

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Names

[ Name ]:
2,4-Pentanediol,2-methyl-, 2,4-diacetate

[Synonym ]:
2,4-diacetoxy-2-methyl-pentane
EINECS 216-667-8
2-methyl-2,4-pentanediyl diacetate
2,4-Pentanediol,2-methyl-,diacetate
2-Methylpentane-2,4-diyl diacetate
2-Methyl-2,4-pentanediol diacetate
2,4-Diacetoxy-2-methyl-pentan
Acetic acid,2-methyl-2,4-pentanediol diester
hexylene glycol diacetate
Acetic acid,hexylene glycol

Chemical & Physical Properties

[ Density]:
1.006g/cm3

[ Boiling Point ]:
250ºC at 760 mmHg

[ Molecular Formula ]:
C₁₀H₁₈O₄

[ Molecular Weight ]:
202.24800

[ Flash Point ]:
113.5ºC

[ Exact Mass ]:
202.12100

[ PSA ]:
52.60000

[ LogP ]:
1.66980

[ Vapour Pressure ]:
0.0222mmHg at 25°C

[ Index of Refraction ]:
1.429

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: SA1226000

CHEMICAL NAME :: 2,4-Pentanediol, 2-methyl-, diacetate

CAS REGISTRY NUMBER :: 1637-24-7

BEILSTEIN REFERENCE NO. :: 1708624

LAST UPDATED :: 199701

DATA ITEMS CITED :: 4

MOLECULAR FORMULA :: C10-H18-O4

MOLECULAR WEIGHT :: 202.28

WISWESSER LINE NOTATION :: 1VOY1&1X1&1&OV1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Open irritation test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: UCDS** Union Carbide Data Sheet. (Union Carbide Corp., 39 Old Ridgebury Rd., Danbury, CT 06817) Volume(issue)/page/year: 12/13/1967 ** ACUTE TOXICITY DATA **

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 3360 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: 30,470,1969

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 16 mL/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: 30,470,1969

Safety Information

[ HS Code ]:
2915390090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

Hexylene glycol
Ethanoic anhydride
Acetyl chloride
4-acetoxy-2-methylpentan-2-ol
tert-Butyl acetate

DownStream

Customs

[ HS Code ]: 2915390090

[ Summary ]:
2915390090. esters of acetic acid. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward). MFN tariff:5.5%. General tariff:30.0%

Related Compounds

2,4-Pentanediol, 2-methyl
2,4(1H,3H)-Pyrimidinedione,2-methyl-
Diacetic acid 5-methyl-6-oxo-2,4-cyclohexadien-1-ylidene ester
2-(2H3)Methyl(2H9)pentane-2,4-diol
benzene-1,2-diol,boric acid,2-methylpentane-2,4-diol
Hexane-1,2-diol
(R)-Methyl 3-amino-2-(4,5-dimethyloxazol-2-YL)propanoate
(R)-Methyl 3-amino-2-(5-methyloxazol-2-YL)propanoate
(S)-Methyl 3-amino-2-(5-methylthiazol-2-YL)propanoate
(S)-Methyl 3-amino-2-(4,5-dimethylthiazol-2-YL)propanoate
(R)-Methyl 3-amino-2-(1-methyl-1H-1,2,3-triazol-5-YL)propanoate
(R)-Methyl 3-amino-2-(1-tosyl-1H-1,2,3-triazol-5-YL)propanoate
Methyl (S)-3-amino-2-(6-bromo-1H-indol-3-yl)propanoate
(S)-Methyl 3-amino-2-(4-chloro-1H-indol-3-YL)propanoate
Methyl (S)-3-amino-2-(4-bromo-1H-indol-3-yl)propanoate
(S)-Methyl 3-amino-2-(3-methoxyphenyl)propanoate

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