CAS 2081-08-5 Bisphenol E (HCID 608116)

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Basic information

CAS: 2081-08-5
Standard SMILES: CC(c1ccc(O)cc1)c1ccc(O)cc1
InChIKey: HCNHNBLSNVSJTJ-UHFFFAOYSA-N
Molecular formula: C14H14O2
Average molar mass: 214.26 g/mol
Monoisotopic mass: 214.09937969

Overview

1,1-Bis(4-hydroxyphenyl)ethane is a diarylmethane.

Names & identifiers

Preferred name: Bisphenol E
IUPAC: 4-[1-(4-hydroxyphenyl)ethyl]phenol
English name: 4,4'-Ethylidenebisphenol
Molecular formula: C14H14O2
Molecular weight: 214.26

Names & synonyms

Bisphenol E2081-08-54-[1-(4-hydroxyphenyl)ethyl]phenol1,1-Bis(4-hydroxyphenyl)ethaneDTXSID30478919U3NFM6ULFDTXCID90278674-(1-(4-hydroxyphenyl)ethyl)phenolRefChem:5066974,4'-EthylidenebisphenolPhenol, 4,4'-ethylidenebis-4,4'-(ETHANE-1,1-DIYL)DIPHENOL

Show more names

4,4'-(Ethene-1,1-diyl)diphenolEthylidenebisphenolBisphenol E SolutionBisphenol E (100μg/mL)Bisphenol E in acetonitrile

4,4'-EthylidenediphenolMFCD00186869CHEMBL2392656CHEBI:340294-[(4-hydroxyphenyl)ethyl]phenolCAS-2081-08-5H484,4- Ethylidenebisphenol

Database identifiers

CAS: 2081-08-5
PubChem CID: 608116
DTXSID: DTXSID3047891
ChEMBL: CHEMBL2392656
ChEBI: CHEBI:34029
UNII

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 40.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 16
Formal charge: 0
Complexity: 179

Experimental & physicochemical properties

Endocrine DisruptorsPotential endocrine disrupting compound

Collision Cross Section158.3 Å² [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID3047891]

Physicochemical properties

Melting point: 123 · 123-127 °C(lit.)
Boiling point: 215 °C · 215 °C(Press: 0.7 Torr)
Density: 1.171 · 1.171±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
solubility: Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
form: Solid
pka: 10.1 · 10.10±0.10(Predicted)
color: White to Off-White
Major Application: cleaning productscosmeticsfood and beveragespersonal care
InChI: InChI=1S/C14H14O2/c1-10(11-2-6-13(15)7-3-11)12-4-8-14(16)9-5-12/h2-10,15-16H,1H3

Safety & regulation

GHS classification

GHS Classification · 4 items

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 40 reports by companies from 3 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

wgk: 3
hs_code: 2907.19.8000
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313

Chemistry & industry

Applications

UsesBisphenol E is a derivative of Bisphenol A (B519495) which is a monomer used for polycarbonate and epoxy resins. It is used to stabilize formulations and improve the oil retention capacity.

Suppliers59 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]

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

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

Related reactions

5 records

New reaction record

HRID 231386As reactantuspto-grants-1989_07

HRID 866722As productuspto-grants-1978_07

HRID 1638888As reactantuspto-grants-1989_11

HRID 1638889As reactantuspto-grants-1989_11

HRID 1897395As productuspto-grants-2013_08

Compound notes

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