(R)-(-)-2-Heptanol - CAS 6033-24-5

Catalog:	BB050227
Product Name:	(R)-(-)-2-Heptanol
CAS:	6033-24-5
Synonyms:	(R)-Heptan-2-ol

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	(2R)-heptan-2-ol
Description:	(R)-(-)-2-Heptanol (CAS# 6033-24-5 ) is a useful research chemical.
Molecular Weight:	116.2
Molecular Formula:	C7H16O
Canonical SMILES:	CCCCCC(C)O
InChI:	InChI=1S/C7H16O/c1-3-4-5-6-7(2)8/h7-8H,3-6H2,1-2H3/t7-/m1/s1
InChI Key:	CETWDUZRCINIHU-SSDOTTSWSA-N
Purity:	≥ 98 %, ≥ 95 % e.e.

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GHS Hazard Statement:	H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	43.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	116.12011513
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	116.12011513
Rotatable Bond Count:	4
Topological Polar Surface Area:	20.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3