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P-Methyldimethylbenzylcarbinol

CAT: 0286-M16090Size: 5 gDry Ice: NoHazardous: No
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CAT#:0286-M16090Size:5 g
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CAS Number
20834-59-7
Synonyms
2-Methyl-1- (p-tolyl) -2-propanol; 1,1-Dimethyl-2- (p-tolyl) ethanol; a, a,4-Trimethylphenethyl Alcohol
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00021809
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation.
DOT Name
Not D.O.T.-Regulated
Precautions
P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

Benzeneethanol, alpha,alpha,4-trimethyl-
CAS Number20834-59-7
PubChem CID88710
IUPAC Name2-methyl-1-(4-methylphenyl)propan-2-ol
Molecular FormulaC11H16O
Molecular Weight164.24
XLogP2.5
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity132
SMILES
CC1=CC=C(C=C1)CC(C)(C)O
InChI
InChI=1S/C11H16O/c1-9-4-6-10(7-5-9)8-11(2,3)12/h4-7,12H,8H2,1-3H3
InChIKey
LABNAHQUILHURR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzeneethanol, alpha,alpha,4-trimethyl-
CAS: 20834-59-7
CID: 88710
Formula: C11H16O
MW: 164.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight164.24
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass164.120115130
Monoisotopic Mass164.120115130
Topological Polar Surface Area20.2 Ų
Heavy Atom Count12
Formal Charge0
Complexity132
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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