Basic information
- CAS
1817-67-0- Standard SMILES
Cc1ccc(O)c(C(C)c2ccccc2)c1- InChIKey
DJRYJQNZAYJVGF-UHFFFAOYSA-N- Molecular formula
- C15H16O
- Average molar mass
- 212.29 g/mol
- Monoisotopic mass
- 212.12011513
Names & identifiers
- Preferred name
- 2-(alpha-Methylbenzyl)-p-cresol
- IUPAC
- 4-methyl-2-(1-phenylethyl)phenol
- English name
- 4-Methyl-2-(1-phenyl-ethyl)-phenol
- Molecular formula
- C15H16O
- Molecular weight
- 212.29
Names & synonyms
1817-67-02-(alpha-Methylbenzyl)-p-cresol2-(.alpha.-Methylbenzyl)-p-cresolPX04Q6P39NNSC 1770NSC-1770Phenol, 4-methyl-2-(1-phenylethyl)-RefChem:459487688-649-14-Methyl-2-(1-phenylethyl)phenol4-METHYL-2-(1-PHENYL-ETHYL)-PHENOL2-(alpha-Methylbenzyl)-4-methylphenol
Show more names
NSC17706-(ALPHA-METHYLBENZYL)-2,4-XYLENOLUNII-PX04Q6P39NSCHEMBL222362CHEMBL1795574NIOSH/SL8800000SCHEMBL29509825DTXSID001377226
Database identifiers
- CAS
1817-67-0- PubChem CID
- 95323
- DTXSID
DTXSID001377226- ChEMBL
CHEMBL1795574- UNII
- PX04Q6P39N
- EC Number
- 688-649-1
- Nikkaji
- J120.247B
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 207
Physicochemical properties
- Boiling point
- 182 · 182-184 °C(Press: 10 Torr)
- Density
- 1.0533 g/cm3 · 1.0533 g/cm3
- pka
- 10.29 · 10.29±0.48(Predicted)
- FDA UNII
- 4 Q6P39N · PX04Q6P39N
- Symbol(GHS)
- 7 · GHS07,GHS05,GHS09
- Signal word
- Danger
- Hazard statements
- 411 · H411-H335-H315-H318
- Precautionary statements
- 280 · P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
GHS classification
GHS Classification
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05,GHS09
- Hazard statements
- H411-H335-H315-H318
- Precautionary statements
- P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers2 total
台州川旭医药科技有限公司[email protected] · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
Related reactions
2 records
Compound notes
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