2058-49-3

2058-49-3 structure

Name: 3-(Methylsulfonyl)-1-propanol
Chemical Name: 3-methylsulfonylpropan-1-ol
CAS Number: 2058-49-3
Molecular Formula: C₄H₁₀O₃S
Molecular Weight: 138.185
Create Date: 2018-09-17 17:30:11
Modify Date: 2024-01-04 19:21:24

Name	3-methylsulfonylpropan-1-ol
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

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

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

Hazard Codes	T+
RIDADR	2811.0
HS Code	2905590090

505-10-2

~28%

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

17696-73-0

627-18-9

2058-49-3

Literature: US2004/9995 A1, ;

64741-01-1

505-10-2

7757-83-7

~67%

2058-49-3

Literature: Zeneca Limited Patent: US6294532 B1, 2001 ;

20277-69-4

627-18-9

~67%

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

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%

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