3-(Methylsulfonyl)-1-propanol

Modify Date: 2024-01-04 19:21:24

3-(Methylsulfonyl)-1-propanol Structure
3-(Methylsulfonyl)-1-propanol structure
Common Name 3-(Methylsulfonyl)-1-propanol
CAS Number 2058-49-3 Molecular Weight 138.185
Density 1.2±0.1 g/cm3 Boiling Point 349.4±25.0 °C at 760 mmHg
Molecular Formula C4H10O3S Melting Point N/A
MSDS N/A Flash Point 165.1±23.2 °C

 Names

Name 3-methylsulfonylpropan-1-ol
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.2±0.1 g/cm3
Boiling Point 349.4±25.0 °C at 760 mmHg
Molecular Formula C4H10O3S
Molecular Weight 138.185
Flash Point 165.1±23.2 °C
Exact Mass 138.035065
PSA 62.75000
LogP -1.46
Vapour Pressure 0.0±1.7 mmHg at 25°C
Index of Refraction 1.459
Storage condition 2-8°C

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UB8654595
CHEMICAL NAME :
1-Propanol, 3-(methylsulfonyl)-
CAS REGISTRY NUMBER :
2058-49-3
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C4-H10-O3-S

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>5 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
TAKHAA Takeda Kenkyusho Ho. Journal of the Takeda Research Laboratories. (Takeda Yakuhin Kogyo K.K., 2-17-85 Jusohon-machi, Yodogawa-ku, Osaka 532, Japan) V.29- 1970- Volume(issue)/page/year: 30,242,1971

 Safety Information

Hazard Codes T+
RIDADR 2811.0
HS Code 2905590090

 Synthetic Route

~28%

3-(Methylsulfonyl)-1-propanol Structure

3-(Methylsulfon...

CAS#:2058-49-3

Literature: JANSSEN RandD IRELAND; COOYMANS, Ludwig Paul; DEMIN, Samuel Dominique; HU, Lili; JONCKERS, Tim Hugo Maria; RABOISSON, Pierre Jean-Marie Bernard; TAHRI, Abdellah; VENDEVILLE, Sandrine Marie Helene Patent: WO2012/80449 A1, 2012 ; Location in patent: Page/Page column 20 ; WO 2012/080449 A1

~%

3-(Methylsulfonyl)-1-propanol Structure

3-(Methylsulfon...

CAS#:2058-49-3

Literature: US2004/9995 A1, ;

~67%

3-(Methylsulfonyl)-1-propanol Structure

3-(Methylsulfon...

CAS#:2058-49-3

Literature: Zeneca Limited Patent: US6294532 B1, 2001 ;

~67%

3-(Methylsulfonyl)-1-propanol Structure

3-(Methylsulfon...

CAS#:2058-49-3

Literature: Christiansen, Elisabeth; Hansen, Steffen V. F.; Urban, Christian; Hudson, Brian D.; Wargent, Edward T.; Grundmann, Manuel; Jenkins, Laura; Zaibi, Mohamed; Stocker, Claire J.; Ullrich, Susanne; Kostenis, Evi; Kassack, Matthias U.; Milligan, Graeme; Cawthorne, Michael A.; Ulven, Trond ACS Medicinal Chemistry Letters, 2013 , vol. 4, # 5 p. 441 - 445

 Customs

HS Code 2905590090
Summary 2905590090 other halogenated, sulphonated, nitrated or nitrosated derivatives of acyclic alcohols。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

 Synonyms

3-(methylsulfonyl)propan-1-ol
1-Propanol, 3-(methylsulfonyl)-
3-Hydroxypropyl methyl sulfone
3-methylsulphonylpropan-1-ol
3-(Methylsulfonyl)-1-propanol
BA 2769
3-methanesulfonyl-propan-1-ol
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