1-Phenyl-1,2-ethanediol
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Basic information
- CAS
93-56-1- Standard SMILES
OCC(O)c1ccccc1- InChIKey
PWMWNFMRSKOCEY-UHFFFAOYSA-N- Molecular formula
- C8H10O2
- Average molar mass
- 138.16 g/mol
- Monoisotopic mass
- 138.06807956
Overview
1-Phenyl-1,2-ethanediol is a member of benzenes.
Names & identifiers
- Preferred name
- 1-Phenyl-1,2-ethanediol
- IUPAC
- 1-phenylethane-1,2-diol
- English name
- 1-Phenyl-1,2-ethanediol
- Molecular formula
- C8H10O2
- Molecular weight
- 138.16
Names & synonyms
1-Phenyl-1,2-ethanediol1-phenylethane-1,2-diol93-56-1STYRENE GLYCOLPhenylethylene glycol1,2-Ethanediol, 1-phenyl-PhenylethanediolPhenyl glycolStyrolyl alcohol1-Phenylethylene glycolFenylglycol1,2-Dihydroxy-1-phenylethane
Show more names
Styryl alcoholKelex-123styren glycol'STYROLGLYKOL'styrolylalcohol
DTXSID80424222ZAC511UK8NSC-406601DTXCID6022422RefChem:889332202-258-1Phenyl-1,2-ethanediolPhenylethane-1,2-diol
Database identifiers
- CAS
93-56-1- PubChem CID
- 7149
- DTXSID
DTXSID8042422- ChEMBL
CHEMBL3188703- ChEBI
CHEBI:183269- UNII
- 2ZAC511UK8
- EC Number
- 202-258-1
- Nikkaji
- J802H
Properties
Computed structural propertiesFilling in
- XLogP
- 0.4
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 87.3
Experimental & physicochemical properties
PolymersOther Classes -> Alcohols and Polyols, Other
Physical DescriptionSolid; [Merck Index] Nearly white crystalline powder; [Acros Organics MSDS]
Physicochemical properties
- Melting point
- 66 · 66-68 °C(lit.)
- Boiling point
- 272 · 272-274 °C760 mm Hg(lit.)
- Density
- 1.0742 · 1.0742 (rough estimate)
- refractive index
- 1.534 · 1.5340 (estimate)
- Flash point
- 160 °C · 160°C
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Chloroform (Slightly), Ethanol, Methanol (Slightly)
- pka
- 13.61 · 13.61±0.20(Predicted)
- form
- Crystalline Powder or Flakes
- color
- White to light beige
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
Not Classified
Aggregated GHS information provided per 11 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 1,2-Ethanediol, 1-phenyl-
1,2-Ethanediol, 1-phenyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryCauses impaired liver function tests in 30-day intermittent oral studies of rabbits; [RTECS] May cause irritation; [Acros Organics MSDS] See alpha-Methylbenzyl alcohol, 2-Phenylisopropanol, Phenylethyl alcohol, and Benzyl alcohol.
Hazard Classes and CategoriesNot Classified
Toxicology
Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- KI2500000
- hs_code
- 29062900
- Signal word
- Warning
- Symbol(GHS)
- GHS07
Chemistry & industry
Uses & manufacturing
UsesEsters are used as plasticizers; [Merck Index] Permitted for use as an inert ingredient in non-food pesticide products; [EPA]
General Manufacturing Information1,2-Ethanediol, 1-phenyl-: ACTIVE
Applications
Uses1-Phenyl-1,2-ethanediol is used as a metabolite of Styrene (S687790) in mammals.
UsesEsters as plasticizers.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
32 records
Compound notes
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