Basic information
- CAS
1517-63-1- Standard SMILES
Cc1ccc(C(O)c2ccccc2)cc1- InChIKey
IHASOVONMUHDND-UHFFFAOYSA-N- Molecular formula
- C14H14O
- Average molar mass
- 198.26 g/mol
- Monoisotopic mass
- 198.10446507
Names & identifiers
- Preferred name
- 4-Methylbenzhydrol
- IUPAC
- (4-methylphenyl)-phenylmethanol
- English name
- 4-Methylbenzhydrol
- Molecular formula
- C14H14O
- Molecular weight
- 198.26
Names & synonyms
4-Methylbenzhydrol1517-63-1Phenyl-p-tolyl-methanolBenzenemethanol, 4-methyl-.alpha.-phenyl-NSC 5324EINECS 216-171-1Benzenemethanol, 4-methyl-alpha-phenyl-DTXSID30871846RefChem:99846DTXCID30819465IHASOVONMUHDND-UHFFFAOYSA-NPhenyl(p-tolyl)methanol
Show more names
4-Methylbenzhyldrol4-Methylbenzhydrol>LABOTEST-BB LT00159635PHENYL P-TOLYL CARBINOL4-Methylbenzhydrol, 98+%4-Methylbenzhydryl alcohol
p-Methylbenzhydrol(4-Methylphenyl)(phenyl)methanol4-MethyldiphenylmethanolBenzhydrol, 4-methyl-(4-methylphenyl)-phenylmethanolMFCD00004492(4-methylphenyl)phenylmethan-1-ol(R)-Phenyl(p-tolyl)methanol
Database identifiers
- CAS
1517-63-1- PubChem CID
- 95377
- DTXSID
DTXSID30871846- EC Number
- 216-171-1
- Nikkaji
- J206.726I
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 176
Experimental & physicochemical properties
LogP3.13
Physicochemical properties
- Melting point
- 50 · 50-54 °C(lit.)
- Boiling point
- 295.58 °C · 295.58°C (rough estimate)
- Density
- 1.0074 · 1.0074 (rough estimate)
- refractive index
- 1.5381 · 1.5381 (estimate)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Sealed in dry,Room Temperature
- form
- powder to crystal
- pka
- 13.68 · 13.68±0.20(Predicted)
- color
- White to Light yellow to Light orange
- BRN
- 2048849 · 2048849
- CAS DataBase Reference
- 1517 · 1517-63-1(CAS DataBase Reference)
- EPA Substance Registry System
- 4 · Benzenemethanol, 4-methyl-.alpha.-phenyl- (1517-63-1)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2906290090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenemethanol, 4-methyl-.alpha.-phenyl-: INACTIVE
Applications
Uses4-Methyl-α-phenylbenzenemethanol is used in the synthesis of tropane analogs in the inhibition of binding at the dopamine transporter. Also is used in SAR studies relating to diphenylpiperazine N-type calcium channel inhibitors, analyzing their anti-hyperalgesic activity.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
4 records
Compound notes
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