4-Methoxybenzyl alcohol - CAS 105-13-5

Catalog:	BB001561
Product Name:	4-Methoxybenzyl alcohol
CAS:	105-13-5
Synonyms:	Benzenemethanol, 4-methoxy-; 4-Methoxybenzenemethanol; Benzyl alcohol, p-methoxy-; (4-Methoxyphenyl)methyl alcohol; 4-(Hydroxymethyl)anisole; 4-Methoxy-α-hydroxytoluene; [4-(Methyloxy)phenyl]methanol; Anise alcohol; Anisic alcohol; NSC 2151; p-(Methoxyphenyl)methanol; p-Anisalcohol; p-Anisyl alcohol; p-Methoxybenzyl alcohol

Technical Data

Related CAS:	1331-81-3 (Methoxybenzyl alcohol) 185532-75-6 (Deleted CAS)
IUPAC Name:	(4-methoxyphenyl)methanol
Molecular Weight:	138.16
Molecular Formula:	C8H10O2
Canonical SMILES:	COC1=CC=C(C=C1)CO
InChI:	InChI=1S/C8H10O2/c1-10-8-4-2-7(6-9)3-5-8/h2-5,9H,6H2,1H3
InChI Key:	MSHFRERJPWKJFX-UHFFFAOYSA-N
Boiling Point:	259.1°C
Melting Point:	25°C
Flash Point:	146°C
Purity:	≥95%
Density:	1.085±0.06 g/cm3
Solubility:	Soluble in Chloroform (Slightly), Ethyl Acetate (Sparingly)
Appearance:	Clear Colourless Semi-solid
Storage:	Store at 2-8°C
MDL:	MFCD00004653
LogP:	1.18750
Refractive Index:	1.543-1.546
Stability:	Stable under normal temperatures and pressures.
Vapor Pressure:	0.0038 [mmHg]

GHS Hazard Statement:	H302 (98.05%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P272, P280, P301+P312, P302+P352, P305+P351+P338, P310, P321, P330, P333+P313, P363, and P501
Signal Word:	Danger

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PMID	Publication Date	Title	Journal
22033097	20120901	Fragrance material review on anisyl alcohol	Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association
22036971	20120901	Fragrance material review on anisyl alcohol (o-m-p-)	Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association
22708725	20120702	Aerobic oxidation reactions catalyzed by vanadium complexes of bis(phenolate) ligands	Inorganic chemistry
22421904	20120601	Triplet state of 4-methoxybenzyl alcohol chemisorbed on silica nanoparticles	Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology
22384952	20120301	Rapid discrimination and characterization of vanilla bean extracts by attenuated total reflection infrared spectroscopy and selected ion flow tube mass spectrometry	Journal of food science

Complexity:	85.3
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	138.068079557
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	138.068079557
Rotatable Bond Count:	2
Topological Polar Surface Area:	29.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1