beta-Phenylphenethyl alcohol

HCID 74662

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 1883-32-5
Standard SMILES: OCC(c1ccccc1)c1ccccc1
InChIKey: NYLOEXLAXYHOHH-UHFFFAOYSA-N
Molecular formula: C14H14O
Average molar mass: 198.26 g/mol
Monoisotopic mass: 198.10446507

Names & identifiers

Preferred name: beta-Phenylphenethyl alcohol
IUPAC: 2,2-diphenylethanol
English name: 2,2-Diphenylethanol
Molecular formula: C14H14O
Molecular weight: 198.26

Names & synonyms

2,2-Diphenylethanol1883-32-5beta-Phenylphenethyl alcoholBenzeneethanol, beta-phenyl-2,2-diphenyl-1-ethanolBenzeneethanol, .beta.-phenyl-T9P7UVI3QY2,2-diphenylethyl alcoholBETA-PHENYLBENZENEETHANOLNSC 4574NSC-4574EINECS 217-543-6

Show more names

DiphenylethanolRARECHEM AL BD 0122β-Phenylbenzeneethanol2,2-Diphenylethanol,97%2,2-Diphenylethanol 99%Benzeneethanol, β-phenyl-

DTXSID40172179ETHANOL, 2,2-DIPHENYL-.BETA.-PHENYLBENZENEETHANOLRefChem:567942betaPhenylphenethyl alcoholDTXCID3094670217-543-62,2-diphenylethan-1-ol

Database identifiers

CAS: 1883-32-5
PubChem CID: 74662
DTXSID: DTXSID40172179
UNII: T9P7UVI3QY
EC Number: 217-543-6
Nikkaji: J199.704A

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 148

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Other Aromatic Compounds

Physicochemical properties

Melting point: 53 · 53-56 °C (lit.)
Boiling point: 190 · 190-192 °C/12 mmHg (lit.)
Density: 1.079 · 1.079
refractive index: 1.568 · 1.5680 (estimate)
Flash point: 230 °F · >230 °F
storage temp.: Sealed in dry,Room Temperature
form: Crystalline Powder
pka: 14.62 · 14.62±0.10(Predicted)
color: White
Stability: Stable. Combustible. Incompatible with strong oxidizing agents.
InChI: InChI=1S/C14H14O/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14-15H,11H2
InChIKey: NYLOEXLAXYHOHH-UHFFFAOYSA-N
SMILES: C(CO)(C1C=CC=CC=1)C1=CC=CC=C1
FDA UNII: 9 P7UVI3QY · T9P7UVI3QY
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
PPE: 95 · Eyeshields, Gloves, type N95 (US)
Hazard Codes: Xi
WGK Germany: 3 · 3
HazardClass: IRRITANT
HS Code: 29062900 · 29062900
Storage Class: 11 · 11 - Combustible Solids

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 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazards SummaryMay cause irritation; [MSDSonline]

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: Eyeshields, Gloves, type N95 (US)
wgk: 3
hs_code: 29062900
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_class: IRRITANT
Storage Class: 11 - Combustible Solids
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications · 3 items

Uses2,2-Diphenylethanol can be used as a pharmaceutical synthesis intermediate.

Uses2,2-Diphenylethanol participates in Meerwein-Ponndorf-Verley type reduction reaction of trans-stilbene oxide with boron triisopropoxide in tetrahydrofuran.

General Description2,2-Diphenylethanol participates in Meerwein-Ponndorf-Verley type reduction reaction of trans-stilbene oxide with boron triisopropoxide in tetrahydrofuran.