Basic information
- CAS
699-12-7- Standard SMILES
OCCSc1ccccc1- InChIKey
KWWZHCSQVRVQGF-UHFFFAOYSA-N- Molecular formula
- C8H10OS
- Average molar mass
- 154.23 g/mol
- Monoisotopic mass
- 154.04523594
Names & identifiers
- Preferred name
- 2-(Phenylthio)ethanol
- IUPAC
- 2-phenylsulfanylethanol
- English name
- 2-(Phenylthio)ethanol
- Molecular formula
- C8H10OS
- Molecular weight
- 154.23
Names & synonyms
2-(Phenylthio)ethanol699-12-72-PhenylmercaptoethanolEthanol, 2-(phenylthio)-DTXSID10469749WA374O44PNSC-57851DTXCID9026974RefChem:478194211-828-92-phenylsulfanylethanolPhenylthioethanol
Show more names
PTE2-(Phenylthio)Ethan2-(phenylthio)-ethanoPHENYLTHIOETHANOL 98%2-(Phenylthio)ethanol>2-(Phenylsulfanyl)ethanol
2-Hydroxyethyl phenyl sulfide2-phenylthioethanolMFCD000029052-(phenylsulfanyl)ethan-1-olbeta-phenylthioethylalcohol2-hydroxyethylphenylsulfide2-hydroxyethyl-phenylsulfideD83749
Database identifiers
- CAS
699-12-7- PubChem CID
- 69685
- DTXSID
DTXSID1046974- ChEMBL
CHEMBL3185032- UNII
- 9WA374O44P
- EC Number
- 211-828-9
- Nikkaji
- J31.165K
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 45.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 79.3
Physicochemical properties
- Boiling point
- 115 · 115-116 °C/2 mmHg (lit.)
- Density
- 1.143 g/mL · 1.143 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.592(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- pka
- 14.36 · 14.36±0.10(Predicted)
- form
- powder to lump to clear liquid
- color
- White or Colorless to Light orange to Yellow
- Specific Gravity
- 1.143 · 1.143
- BRN
- 1860057 · 1860057
- InChI
- 1S/C8H10OS/c9-6-7-10-8-4-2-1-3-5-8/h1-5,9H,6-7H2
- InChIKey
- KWWZHCSQVRVQGF-UHFFFAOYSA-N
- SMILES
- OCCSc1ccccc1
- CAS DataBase Reference
- 699 · 699-12-7(CAS DataBase Reference)
- FDA UNII
- 9 WA374O44P · 9WA374O44P
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, 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 CategoriesAcute Tox. 4 (50%)
Safety data
- PPE
- Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29309070
- risk_code
- 36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 23-24/25
- hazard_class
- STENCH
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H302-H312-H320-H332-H335
- Precautionary statements
- P261-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationEthanol, 2-(phenylthio)-: ACTIVE
Applications
Uses2-(Phenylthio)ethanol has been used:in the synthesis of indole, benzofuran and benzothiophenefor temporary masking of the thymine residue during the synthesis of sugar modified thymidine derivativesin the preparation of 4-[2-(phenylthio)ethoxy]phthalonitrile
Upstream & downstream products
Downstream products
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
合肥曼奇诺生物医药技术有限公司19719236623 · [email protected]
上海麦克林生化科技股份有限公司
Related reactions
22 records
Compound notes
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