CAS 5785-66-0 alpha-Cyclopropyl-alpha-phenylbenzenemethanol (HCID 79850)

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Basic information

CAS: 5785-66-0
Standard SMILES: OC(c1ccccc1)(c1ccccc1)C1CC1
InChIKey: MFKPHBJFWOOEDT-UHFFFAOYSA-N
Molecular formula: C16H16O
Average molar mass: 224.3 g/mol
Monoisotopic mass: 224.12011513

Names & identifiers

Preferred name: alpha-Cyclopropyl-alpha-phenylbenzenemethanol
IUPAC: cyclopropyl(diphenyl)methanol
English name: Cyclopropyl diphenyl carbinol
Molecular formula: C16H16O
Molecular weight: 224.3

Names & synonyms

Cyclopropyldiphenylmethanol5785-66-0Methanol, cyclopropyldiphenyl-GR7LIJ8QA8NSC-78478alpha-cyclopropyl-alpha-phenylbenzenemethanolRefChem:1076466227-312-1Cyclopropyl diphenyl carbinolCyclopropyldiphenylcarbinolcyclopropyl(diphenyl)methanolMFCD00001298

Show more names

à-cyclopropylbenzhydrolDiphenylcyclopropylmethanolcyclopropyldiphenyl-methanoDIPHENYLCYCLOPROPYLCARBINOLALPHA-CYCLOPROPYLBENZHYDROLCycloprpopyl diphenyl carbinolα-Cyclopropylbenzhydryl alcoholCyclopropyldiphenylcarbinol >

Diphenyl cyclopropyl carbinolBenzenemethanol, alpha-cyclopropyl-alpha-phenyl-Benzenemethanol, .alpha.-cyclopropyl-.alpha.-phenyl-Benzenemethanol, alpha-cyclopropyl-alpha-phenyl- (9CI)alpha-Cyclopropylbenzhydrylic alcoholEINECS 227-312-1NSC 78478BRN 1958265

Database identifiers

CAS: 5785-66-0
PubChem CID: 79850

Properties

Computed structural properties

XLogP: 4.2
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 17
Formal charge: 0
Complexity: 226

Physicochemical properties

Melting point: 84 · 84-87 °C(lit.)
Boiling point: 150 °C · 150 °C / 3mmHg
Density: 1.0154 · 1.0154 (rough estimate)
refractive index: 1.5488 · 1.5488 (estimate)
pka: 13.48 · 13.48±0.29(Predicted)
form: powder to crystal
color: White to Light yellow to Light red
BRN: 1958265 · 1958265
CAS DataBase Reference: 5785 · 5785-66-0(CAS DataBase Reference)
FDA UNII: 7 LIJ8QA8 · GR7LIJ8QA8
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
Safety Statements: 24 · 24/25
WGK Germany

Safety & regulation

Safety data

wgk: 3
rtecs: PC1950000
hs_code: 29062900
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 24/25
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362