1-Pentadecanol - CAS 629-76-5

Catalog:	BB031915
Product Name:	1-Pentadecanol
CAS:	629-76-5
Synonyms:	pentadecan-1-ol

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Computed Properties

IUPAC Name:	pentadecan-1-ol
Description:	1-Pentadecanol (CAS# 629-76-5) is a fatty alcohol found in myrrh and frankincense essential oils.
Molecular Weight:	228.41
Molecular Formula:	C15H32O
Canonical SMILES:	CCCCCCCCCCCCCCCO
InChI:	InChI=1S/C15H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h16H,2-15H2,1H3
InChI Key:	REIUXOLGHVXAEO-UHFFFAOYSA-N
Boiling Point:	269-271 °C
Melting Point:	43-46°C
Flash Point:	>230 °F
Purity:	99 %
Density:	0.834 g/cm³
Appearance:	Colorless liquid with a faint odor of alcohol. floats on water.
LogP:	5.06990
Vapor Pressure:	0.000038 [mmHg]

Publication Number	Title	Priority Date
CN-113429320-A	Preparation method of pentadecyl sulfonyl chloride and oil tanning agent containing pentadecyl sulfonyl chloride	20210715
CN-113509751-A	Extraction-back extraction system based on alkanol eutectic solvent and application thereof	20210713
CN-113209203-A	Antiviral compound essential oil and application thereof	20210518
CN-113082125-A	Traditional Chinese medicine for clearing lung and abating fever and application thereof	20210406
CN-112858564-A	Method for identifying schisandra chinensis components in dendrobium luminous pills and checking adulteration	20210329

PMID	Publication Date	Title	Journal
22433663	20120321	Effects of fatty acid activation on photosynthetic production of fatty acid-based biofuels in Synechocystis sp. PCC6803	Biotechnology for biofuels
22260222	20120101	Essential oil of Myrica esculenta Buch. Ham.: composition, antimicrobial and topical anti-inflammatory activities	Natural product research
22151413	20111212	Fatty acyl-CoA reductases of birds	BMC biochemistry
20571114	20100801	Three Arabidopsis fatty acyl-coenzyme A reductases, FAR1, FAR4, and FAR5, generate primary fatty alcohols associated with suberin deposition	Plant physiology
20491078	20100501	Contribution of the bees and combs to honey volatiles: blank-trial probe for chemical profiling of honey biodiversity	Chemistry & biodiversity

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GHS Hazard Statement:	H315 (61.29%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P264, P273, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362, P391, and P501
Signal Word:	Warning

Complexity:	112
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	228.245315640
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	228.245315640
Rotatable Bond Count:	13
Topological Polar Surface Area:	20.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	6.8