α,α-Dimethylbenzenepropanol - CAS 103-05-9

Name: α,α-Dimethylbenzenepropanol
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB001009
Product Name:	α,α-Dimethylbenzenepropanol
CAS:	103-05-9
Synonyms:	2-methyl-4-phenylbutan-2-ol

Technical Data

IUPAC Name:	2-methyl-4-phenylbutan-2-ol
Description:	α,α-Dimethylbenzenepropanol (CAS# 103-05-9) is a useful reagent in preparation of phenyldimethylsilyl group as a masked hydroxy group.
Molecular Weight:	164.24
Molecular Formula:	C11H16O
Canonical SMILES:	CC(C)(CCC1=CC=CC=C1)O
InChI:	InChI=1S/C11H16O/c1-11(2,12)9-8-10-6-4-3-5-7-10/h3-7,12H,8-9H2,1-2H3
InChI Key:	YXVSKJDFNJFXAJ-UHFFFAOYSA-N
Boiling Point:	144 °C / 85 mmHg (lit.)
Melting Point:	31-33°C(lit.)
Flash Point:	106.7°C
Density:	0.969 g/cm³
Solubility:	water, 667.7 mg/L @ 25 °C (est)
Appearance:	Colorless clear liquid (est)
MDL:	MFCD00004472
LogP:	2.39010
Refractive Index:	n20/D 1.509(lit.)

GHS Hazard Statement:	H319 (96.44%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement:	P264, P273, P280, P305+P351+P338, P337+P313, and P501
Signal Word:	Warning

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WO-2021122684-A1	Dodecandien-1-ol and dodecen-1-ol or mixtures thereof as aroma chemicals	20191220
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Complexity:	123
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	164.120115130
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	164.120115130
Rotatable Bond Count:	3
Topological Polar Surface Area:	20.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1