(S)-octan-2-ol - CAS 6169-06-8

Technical Data

IUPAC Name:	(2S)-octan-2-ol
Description:	(S)-octan-2-ol (CAS# 6169-06-8 ) is a useful research chemical.
Molecular Weight:	130.23
Molecular Formula:	C8H18O
Canonical SMILES:	CCCCCCC(C)O
InChI:	InChI=1S/C8H18O/c1-3-4-5-6-7-8(2)9/h8-9H,3-7H2,1-2H3/t8-/m0/s1
InChI Key:	SJWFXCIHNDVPSH-QMMMGPOBSA-N
Melting Point:	-38°C
Flash Point:	71°C
Purity:	≥ 98 %, ≥ 95 % e.e.
Density:	0.822
Appearance:	Colorless liquid with a pleasant odor
Storage:	Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Refractive Index:	1.425-1.427
Stability:	Stable. Combustible. Incompatible with strong oxidizing agents
Vapor Pressure:	0.19 [mmHg]

GHS Hazard Statement:	H315 (86.67%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (97.78%): Causes serious eye irritation [Warning 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+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	52.5
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	130.135765193
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	130.135765193
Rotatable Bond Count:	5
Topological Polar Surface Area:	20.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9