2-Heptanol - CAS 543-49-7

Catalog:	BB028611
Product Name:	2-Heptanol
CAS:	543-49-7
Synonyms:	(±)-2-Heptanol; 1-Methylhexanol; 2-Heptyl Alcohol; 2-Hydroxyheptane; Amyl Methyl Carbinol; DL-Heptan-2-ol; Methyl Amyl Carbinol; NSC 2220; s-Heptyl Alcohol

Technical Data

IUPAC Name:	heptan-2-ol
Description:	2-Heptanol is a natural product found in Aspalathus linearis, Camellia sinensis, and other organisms. 2-Heptanol is a volatile component of various plants, and can be used as a flavor and fragrance ingredient.
Molecular Weight:	116.20
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
InChI Key:	CETWDUZRCINIHU-UHFFFAOYSA-N
Boiling Point:	160-162 ℃
Melting Point:	-30.15°C
Flash Point:	59°C
Purity:	≥95%
Density:	0.8175 g/cm³
Solubility:	Insoluble in Water; Soluble in most organic liquids
Appearance:	Clear Colorless Liquid
Storage:	Store at RT
MDL:	MFCD00004587
LogP:	1.94750
Refractive Index:	1.42-1.422
Stability:	Stable. Flammable. Incompatible with strong oxidizing agents, strong acids.
Vapor Pressure:	1.23 [mmHg]

GHS Hazard Statement:	H226 (98.23%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P264, P280, P302+P352, P303+P361+P353, P305+P351+P338, P312, P321, P322, P332+P313, P337+P313, P362, P363, P370+P378, P403+P235, and P501
Signal Word:	Warning

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PMID	Publication Date	Title	Journal
22649749	20120101	Acylation of Chiral Alcohols: A Simple Procedure for Chiral GC Analysis	Journal of analytical methods in chemistry
22157638	20111206	Imaging pheromone sensing in a mouse vomeronasal acute tissue slice preparation	Journal of visualized experiments : JoVE
22223897	20111101	Chirality and anaesthetic drugs: A review and an update	Indian journal of anaesthesia
20415422	20100526	Preparation of passion fruit-typical 2-alkyl ester enantiomers via lipase-catalyzed kinetic resolution	Journal of agricultural and food chemistry
20355126	20100415	Influence of pre-cure freezing on the profile of volatile compounds during the processing of Iberian hams	Journal of the science of food and agriculture

Complexity:	43.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	116.120115130
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	116.120115130
Rotatable Bond Count:	4
Topological Polar Surface Area:	20.2 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3