2-(Hydroxymethyl)chromane - CAS 83278-86-8

Catalog:	BB053778
Product Name:	2-(Hydroxymethyl)chromane
CAS:	83278-86-8
Synonyms:	Chroman-2-yl-methanol

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	3,4-dihydro-2H-chromen-2-ylmethanol
Molecular Weight:	164.20
Molecular Formula:	C10H12O2
Canonical SMILES:	C1CC2=CC=CC=C2OC1CO
InChI:	InChI=1S/C10H12O2/c11-7-9-6-5-8-3-1-2-4-10(8)12-9/h1-4,9,11H,5-7H2
InChI Key:	KDLVSGWUKFJFTL-UHFFFAOYSA-N
Boiling Point:	293.2±9.0 °C at 760 mmHg
Purity:	97%
Density:	1.1±0.1 g/cm3
Appearance:	Low Melting Solid

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P319, P321, P330, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	147
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	164.083729621
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	164.083729621
Rotatable Bond Count:	1
Topological Polar Surface Area:	29.5
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7