CAS 62285-58-9 (2,6-Dimethylphenyl)methanol (HCID 186748)

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Basic information

CAS: 62285-58-9
Standard SMILES: Cc1cccc(C)c1CO
InChIKey: JPEYJQDKTDVJSZ-UHFFFAOYSA-N
Molecular formula: C9H12O
Average molar mass: 136.19 g/mol
Monoisotopic mass: 136.088815

Names & identifiers

Preferred name: (2,6-Dimethylphenyl)methanol
IUPAC: (2,6-dimethylphenyl)methanol
English name: 2,6-Dimethylbenzyl alcohol
Molecular formula: C9H12O
Molecular weight: 136.19

Names & synonyms

(2,6-dimethylphenyl)methanol62285-58-9DTXSID70977851RefChem:394710DTXCID40912714880-668-52,6-DIMETHYLBENZYL ALCOHOL2,6-Dimethyl-benzenemethanolBenzenemethanol, 2,6-dimethyl-MFCD00128004(2,6-Dimethyl-phenyl)-methanol2,6-Dimethylbenzylalcohol

Show more names

RARECHEM AL BD 03636-Dimethylbenzyl alcohol2,6-Dimethylbenzylalcohol,98%2,6-Dimethylbenzyl alcohol ,97%

2,6-Dimethylbenzenemethanol6ZY8T44LGDNSC-618295NSC618295NSC 6182952.3-DimethylbenzylalkoholUNII-6ZY8T44LGD2,6-Dimethyl benzyl alcohol

Database identifiers

CAS: 62285-58-9
PubChem CID: 186748
DTXSID: DTXSID70977851
ChEMBL: CHEMBL1996303
UNII: 6ZY8T44LGD
EC Number: 880-668-5
Nikkaji: J2.173.305I

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 90.9

Physicochemical properties

Melting point: 81 · 81-82 °C(Solv: ligroine (8032-32-4))
Boiling point: 120 °C · 120°C 12mm
Density: 1.002 · 1.002±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 14.38 · 14.38±0.10(Predicted)
form: Solid
FDA UNII: 6 ZY8T44LGD · 6ZY8T44LGD
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Safety Statements: 24 · 24/25
HS Code: 29062990 · 29062990

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H315 (50%): 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 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.