1-Phenyl-1,2-ethanediol

HCID 7149CAS 93-56-1
Substructure searchFind similar structures

Basic information

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 properties

XLogP
0.4
Topological polar surface area
40.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
10

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

Safety & regulation

GHS classification

GHS Classification · 2 items

Not Classified

Aggregated GHS information provided per 11 reports by companies from 3 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory Information · 2 items

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

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

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

Additional notes

DefinitionChEBI: 1-Phenyl-1,2-ethanediol is a member of benzenes.

Related reactions

32 records
New reaction record

Linked notes

Loading…