1,3-Propanediol,1,3-dimethanesulfonate

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Names

[ Name ]:
1,3-Propanediol,1,3-dimethanesulfonate

[Synonym ]:
1:3-Dimethanesulfonoxypropane
Trimethylene dimethanesulfonate
Trimethylene dimethanesulphonate
1,3-propylene glycol dimesylate
Propane-1,3-dimethanesulfonate
1,3-PROPANEDIOL,DIMETHANESULFONATE
Propylene dimethanesulfonate
1,3-Dimethanesulphonoxypropane
1,3-propanediol dimesylate
Dimethanesulfonic acid,trimethylene ester
dimesylate of 1,3-propanediol

Chemical & Physical Properties

[ Density]:
1.4g/cm3

[ Boiling Point ]:
468.3ºC at 760 mmHg

[ Molecular Formula ]:
C₅H₁₂O₆S₂

[ Molecular Weight ]:
232.27500

[ Flash Point ]:
237ºC

[ Exact Mass ]:
232.00800

[ PSA ]:
103.50000

[ LogP ]:
1.49050

[ Vapour Pressure ]:
1.7E-08mmHg at 25°C

[ Index of Refraction ]:
1.47

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: TY5400000

CHEMICAL NAME :: 1,3-Propanediol, dimethanesulfonate

CAS REGISTRY NUMBER :: 15886-84-7

BEILSTEIN REFERENCE NO. :: 1791022

LAST UPDATED :: 199701

DATA ITEMS CITED :: 13

MOLECULAR FORMULA :: C5-H12-O6-S2

MOLECULAR WEIGHT :: 232.29

WISWESSER LINE NOTATION :: WS1&O3OSW1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 500 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Intraperitoneal

DOSE :: 50 mg/kg

SEX/DURATION :: female 15 day(s) after conception

TOXIC EFFECTS :: Reproductive - Specific Developmental Abnormalities - urogenital system Reproductive - Effects on Newborn - delayed effects

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Intraperitoneal

DOSE :: 50 mg/kg

SEX/DURATION :: female 15 day(s) after conception

TOXIC EFFECTS :: Reproductive - Effects on Newborn - germ cell effects (in offspring) Reproductive - Effects on Newborn - delayed effects

TYPE OF TEST :: Sex chromosome loss and nondisjunction

TYPE OF TEST :: Cytogenetic analysis

TYPE OF TEST :: Dominant lethal test

TYPE OF TEST :: Dominant lethal test

TYPE OF TEST :: Dominant lethal test

TYPE OF TEST :: Dominant lethal test

TYPE OF TEST :: Dominant lethal test

MUTATION DATA

TYPE OF TEST :: DNA damage

TEST SYSTEM :: Rodent - rat Cells - not otherwise specified

DOSE/DURATION :: 250 umol/L

REFERENCE :: BCPCA6 Biochemical Pharmacology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.1- 1958- Volume(issue)/page/year: 32,2297,1983

Safety Information

[ HS Code ]:
2905199090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

Methanesulfonyl chloride
1,3-Propanediol

DownStream

Glutaronitrile
1-methoxy-2-[3-(2-methoxyphenoxy)propoxy]benzene
2,3-diphenyl-6,7-dihydro-5H-1,4-dithiepine

Customs

[ HS Code ]: 2905199090

[ Summary ]:
2905199090. saturated monohydric alcohols. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

Related Compounds

1,3-Propanediol,2-ethyl-, 1,3-dimethanesulfonate
1,3-Propanediol,2,2-dimethyl-, 1,3-dimethanesulfonate
1,3-Propanediol,2-methyl-2-(phenylmethyl)-, 1,3-dimethanesulfonate
1,3-Propanediol,2-[(2-bromophenyl)phenylmethyl]-,1,3-dimethanesulfonate
1,3-Propanediol,1,3-bis(4-nitrobenzoate)
1,3-Propanediol,1,3-diphenyl-
4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
N-(5-methylisoxazol-3-yl)-2-(thiophene-2-carboxamido)oxazole-4-carboxamide
1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
N-methylpyrrolidine-2-carboxamide hydrochloride
5-Oxo-3-(thiophen-2-yl)-5-((1-(thiophene-2-carbonyl)indolin-6-yl)amino)pentanoic acid
2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
(4-Methyl-tetrahydro-furan-2-yl)-methanol
N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde