Basic information
- CAS
22821-77-8- Standard SMILES
CS(=O)(=O)c1ccc(CO)cc1- InChIKey
LUECCFBGAJOLOX-UHFFFAOYSA-N- Molecular formula
- C8H10O3S
- Average molar mass
- 186.23 g/mol
- Monoisotopic mass
- 186.03506518
Names & identifiers
- Preferred name
- (4-Methanesulfonylphenyl)methanol
- IUPAC
- (4-methylsulfonylphenyl)methanol
- English name
- 4-(Methylsulfonyl)benzyl alcohol
- Molecular formula
- C8H10O3S
- Molecular weight
- 186.23
Names & synonyms
(4-methanesulfonylphenyl)methanolRefChem:402910676-333-64-(Methylsulfonyl)benzyl Alcohol22821-77-8(4-methylsulfonylphenyl)methanol(4-(Methylsulfonyl)phenyl)methanolMFCD03425695P-(METHYLSULFONYL)BENZYL ALCOHOL[4-(methylsulfonyl)phenyl]methanolBenzenemethanol, 4-(methylsulfonyl)-4-(Methylsulfonyl)benzylAlcohol
Show more names
RARECHEM AL BD 06064-(Methylsulfonyl)benzenemethanolBenzenemethanol,4-(methylsulfonyl)-
SCHEMBL96650SCHEMBL96651Benzenemethanol, 4-(methylsu4-(methylsulfonyl)phenylmethanol4-(methanesulfonyl)benzyl alcoholDTXSID80396615LUECCFBGAJOLOX-UHFFFAOYSA-NXAA82177
Database identifiers
- CAS
22821-77-8- PubChem CID
- 3801026
- DTXSID
DTXSID80396615- EC Number
- 676-333-6
- Nikkaji
- J1.923.973J
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 219
Physicochemical properties
- Melting point
- 82 · 82-84°C
- Boiling point
- 391.9 · 391.9±34.0 °C(Predicted)
- Density
- 1.284 · 1.284
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 13.74 · 13.74±0.10(Predicted)
- Appearance
- White to yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38-36
- Safety Statements
- 26 · 26-36/37/39
- HazardClass
- IRRITANT
- HS Code
- 2930909899 · 2930909899
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2930909899
- risk_code
- 36/37/38-36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37/39
- hazard_class
- IRRITANT
- Hazard statements
- H315-H335-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers57 total
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]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
上海珂华生物科技有限公司
Related reactions
6 records
Compound notes
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