CAS 885-77-8 4,4'-Dimethylbenzhydrol (HCID 279356)

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Basic information

CAS: 885-77-8
Standard SMILES: Cc1ccc(C(O)c2ccc(C)cc2)cc1
InChIKey: RGYZQSCFKFDECZ-UHFFFAOYSA-N
Molecular formula: C15H16O
Average molar mass: 212.29 g/mol
Monoisotopic mass: 212.12011513

Names & identifiers

Preferred name: 4,4'-Dimethylbenzhydrol
IUPAC: bis(4-methylphenyl)methanol
English name: 4,4'-Dimethylbenzhydrol
Molecular formula: C15H16O
Molecular weight: 212.29

Names & synonyms

4,4'-Dimethylbenzhydrol885-77-8Di-p-TolylmethanolBenzhydrol, 4,4'-dimethyl-Benzenemethanol, 4-methyl-.alpha.-(4-methylphenyl)-DTXSID60299377RefChem:96271DTXCID10250514Benzenemethanol, 4-methyl-alpha-(4-methylphenyl)-RGYZQSCFKFDECZ-UHFFFAOYSA-NBis(4-methylphenyl)methanol4,4-dimethylbenzhydrol

Show more names

XA 100NSC 129834Di-p-tolylcarbinol4,4'-DITOLYL CARBINOLbis(p-tolyl) carbinol4 4-DIMETHYLBENZHYDROL 97%di(4-methylphenyl)methylol

MFCD00017216bis-p-tolylmethanolDi-p-tolyl-methanolNSC129834Di-(4-tolyl)-methanolBenzhydrol,4'-dimethyl-4,4'- dimethylbenzhydrol4,4''-Dimethylbenzhydrol

Database identifiers

CAS: 885-77-8
PubChem CID: 279356
DTXSID: DTXSID60299377
EC Number: 674-260-4
Nikkaji: J123.945G

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 16
Formal charge: 0
Complexity: 175

Physicochemical properties

Melting point: 71 · 71-73°C
Boiling point: 352.7 · 352.7±11.0 °C(Predicted)
Density: 1.063 · 1.063±0.06 g/cm3(Predicted)
storage temp.: Store at room temperature
pka: 13.82 · 13.82±0.20(Predicted)
form: powder to crystal
color: White to Almost white
Water Solubility: Insoluble in water.
λmax: 472 nm · 472nm(H2SO4 aq.)(lit.)
BRN: 1874128 · 1874128
CAS DataBase Reference: 885 · 885-77-8(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H315-H335
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Safety & regulation

Safety data

hs_code: 2906.29.6000
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 22-24/25
hazard_class: IRRITANT
Hazard statements: H319-H315-H335
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P