Bis(2-hydroxyphenyl)methane

HCID 75575

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Basic information

CAS: 1333-16-0
Standard SMILES: Oc1ccccc1Cc1ccccc1O
InChIKey: MQCPOLNSJCWPGT-UHFFFAOYSA-N
Molecular formula: C13H12O2
Average molar mass: 200.23 g/mol
Monoisotopic mass: 200.08372962

Overview

2,2'-Bisphenol F is a diarylmethane.

Names & identifiers

Preferred name: Bis(2-hydroxyphenyl)methane
IUPAC: 2-[(2-hydroxyphenyl)methyl]phenol
English name: 2,2'-METHYLENEDIPHENOL
Molecular formula: C13H12O2
Molecular weight: 200.23

Names & synonyms

2,2'-Methylenediphenol2467-02-92,2'-Bisphenol FBis(2-hydroxyphenyl)methane2,2'-DihydroxydiphenylmethanePhenol, 2,2'-methylenebis-o-(o-Hydroxybenzyl)phenolPhenol, 2,2'-methylenedi-NSC-40210304D0A23747ortho, ortho-bisphenol FRefChem:917246

Show more names

BIS(O-HYDROXYPHENYL)METHANE2,2’-bisphenolf2,2 '- Bisphenol2,2’-methylenebis-pheno2,2’-methylenebis-phenolPhenol, 2,2-methylenebis-

(2,2'-dihydroxydiphenyl)methane219-578-22-[(2-hydroxyphenyl)methyl]phenol2,2'-Bis(hydroxyphenyl)methane2,2'-Methylenebis(phenol)MFCD000022432-(2-hydroxybenzyl)phenol1333-16-0

Database identifiers

CAS: 1333-16-0、2467-02-9
PubChem CID: 75575
DTXSID: DTXSID4022446
ChEMBL: CHEMBL148831
ChEBI: CHEBI:34207
UNII: 04D0A23747
EC Number: 219-578-2
Nikkaji: J80.494K

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 40.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 173

Experimental & physicochemical properties

SpringerMaterials PropertiesViscosity

Endocrine DisruptorsPotential endocrine disrupting compound

Collision Cross Section142.9 Å² [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID4022446]

Physicochemical properties

Melting point: 113 · 113-118 °C(lit.)
Boiling point: 363 · 363-365 °C(Press: 758 Torr)
Density: 1.208 · 1.208±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
solubility: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
form: Solid
pka: 9.81 · 9.81±0.30(Predicted)
color: White to Off-White
Stability: Stable. Combustible. Incompatible with strong oxidizing agents.
InChI: 1S/C13H12O2/c14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)15/h1-8,14-15H,9H2
InChIKey: MQCPOLNSJCWPGT-UHFFFAOYSA-N
SMILES: Oc1ccccc1Cc2ccccc2O
CAS DataBase Reference: 2467 · 2467-02-9
FDA UNII: 4 D0A23747 · 04D0A23747
EPA Substance Registry System: 2 · Phenol, 2,2'-methylenebis- (2467-02-9)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
TSCA: TSCA listed
HS Code: 2907.19 · 2907.19.8000
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 1.7% (2 of 116) of reports.

Danger

H315 (81.9%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 116 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Chemical: Phenol, 2,2'-methylenebis-

Phenol, 2,2'-methylenebis-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (81.9%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
tsca: TSCA listed
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-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationPhenol, 2,2'-methylenebis-: ACTIVE

Applications

Uses2,2'-Bis(hydroxyphenyl)methane is a dihydroxydiphenyl methane and the ortho analogue of Bisphenol F (B519555). 2,2'-Bis(hydroxyphenyl)methane is a contact sensitizer found in resins and products based on phenol-formaldehyde.