Ethanol, 2-[(4-methylphenyl)sulfonyl]- (HCID 89682)

Names & identifiers

Preferred name: Ethanol, 2-[(4-methylphenyl)sulfonyl]-
IUPAC: 2-(4-methylphenyl)sulfonylethanol
English name: 2-[(4-Methylphenyl)sulfonyl]ethanol
Molecular formula: C9H12O3S
Molecular weight: 200.25

Names & synonyms

Ethanol, 2-(p-tolylsulfonyl)-Ethanol, 2-[(4-methylphenyl)sulfonyl]-2-[(4-Methylphenyl)sulfonyl]ethanol2-(4-Methylphenylsulfonyl)ethanolNSC 70003Ethanol, 2-((4-methylphenyl)sulfonyl)-AI3-07259DTXSID10667862-((4-Methylphenyl)sulfonyl)ethanolRefChem:592153DTXCID6036675Ethanol, 2-(p-tolylsulfonyl)-(8CI)

Show more names

MPSE2-(p-tosyl)ethanolToluenesulfonylethanol2-(P-TOLUENESULPHONYL)ETHANOL2-(4-Toluenesulfonyl)-ethanol2-(p-Toluenesulfonyl)ethanol,98%

625-269-72-Tosylethanol22381-54-02-(p-Toluenesulfonyl)ethanol2-(p-Tolylsulfonyl)ethanol2-(4-methylphenyl)sulfonylethanolMFCD000417572-(Toluene-4-sulfonyl)ethanol

Database identifiers

CAS: 22381-54-0
PubChem CID: 89682
DTXSID: DTXSID1066786
EC Number: 625-269-7
Nikkaji: J145.069G

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 62.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 232

Physicochemical properties

Melting point: 50 · 50-56 °C (lit.)
Boiling point: 178 · 178-181 °C/0.2 mmHg (lit.)
Density: 1.2922 · 1.2922 (rough estimate)
refractive index: 1.4998 · 1.4998 (estimate)
Flash point: 178 · 178-181°C/0.2mm
storage temp.: Sealed in dry,Room Temperature
form: solid
pka: 13.73 · 13.73±0.10(Predicted)
Appearance: White to off-white Solid
Water Solubility: Slightly soluble in water.
BRN: 1961132 · 1961132
InChI: 1S/C9H12O3S/c1-8-2-4-9(5-3-8)13(11,12)7-6-10/h2-5,10H,6-7H2,1H3
InChIKey: QJFIXBNLKARINT-UHFFFAOYSA-N
SMILES: Cc1ccc(cc1)S(=O)(=O)CCO
CAS DataBase Reference: 22381 · 22381-54-0(CAS DataBase Reference)
EPA Substance Registry System: 2 · Ethanol, 2-[(4-methylphenyl)sulfonyl]- (22381-54-0)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 280 · P280-P305+P351+P338
Hazard Codes: Xn
Risk Statements: 22 · 22
Safety Statements: 24 · 24/25
WGK Germany: 3 · 3
TSCA: TSCA listed
HS Code: 29062990 · 29062990
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 Oral · Acute Tox. 4 Oral

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (97.5%)

Safety data

wgk: 3
tsca: TSCA listed
hs_code: 29062990
risk_code: 22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
safety_code: 24/25
Storage Class: 11 - Combustible Solids
Hazard statements: H302
Hazard Classifications: Acute Tox. 4 Oral
Precautionary statements: P280-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationEthanol, 2-[(4-methylphenyl)sulfonyl]-: INACTIVE

Applications

Uses2-(p-Toluenesulfonyl)ethanol is used as an organic chemical synthesis intermediate.

Upstream & downstream products

Upstream raw materials

2-(P-TOLYLTHIO)-ETHANOL Benzene, 1,1'-[1,2-ethanediylbis(sulfonyl)]bis[4-methyl-Ethanol, 2-[(4-methylphenyl)sulfinyl]-P-TOLYL VINYL SULPHONE P-TOLUENESULFINIC ACID 2-(4-Methylphenyl)ethanol ETHYLENE OXIDE Sodium p-toluenesulfinate p-Toluenethiol 2-Chloroethanol

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

苏州纳什医药科技有限公司13482028355 · [email protected]

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

Related reactions

14 records

New reaction record

HRID 113384As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 157985As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 214657As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 660051As reactantuspto-grants-2011_12

HRID 688228As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 829136As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 1129211As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 2182845As reactantuspto-grants-2005_05

Linked notes

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Basic information