cis-4-Hepten-1-ol - CAS 6191-71-5

Technical Data

IUPAC Name:	(Z)-hept-4-en-1-ol
Description:	cis-4-Hepten-1-ol (CAS# 6191-71-5) is an unsaturated alcohol that has a green, grassy odour and is commonly used in fragrance formulations. cis-4-Hepten-1-ol is also used as a reagent to synthesize Brevicomin, the sex attractant of the female western pine beetle.
Molecular Weight:	114.19
Molecular Formula:	C7H14O
Canonical SMILES:	CCC=CCCCO
InChI:	InChI=1S/C7H14O/c1-2-3-4-5-6-7-8/h3-4,8H,2,5-7H2,1H3/b4-3-
InChI Key:	CUKAXHVLXKIPKF-ARJAWSKDSA-N
Boiling Point:	186.69 ℃ (EPI 4.0)
Purity:	98.0 % (sum of isomers)
Density:	0.850 g/mL at 20℃(lit.)
Solubility:	Insoluble in water; soluble in alcohol.
Appearance:	Colorless liquid
Storage:	Store tightly sealed under inert gas in a cool, well-ventilated area.
LogP:	1.72510
Refractive Index:	1.441 : 1.447 at 20 deg C

Publication Number	Title	Priority Date
CN-112175182-A	Positive photosensitive polyesteramide resin and composition using same	20200930
WO-2021202907-A2	Remdesivir and remdesivir analogs, solutions, and nanoparticle, liposomal, and microparticle compositions for treating viral infections	20200402
GB-2588087-A	Inhalable cannabinoid compositions and uses	20190927
US-2021093552-A1	Inhalable cannabinoid compositions and uses	20190927
US-2021015957-A1	Method of atomizing a fluid composition	20190717

Complexity:	57.4
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	114.104465066
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	114.104465066
Rotatable Bond Count:	4
Topological Polar Surface Area:	20.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7