Heptadecanoic Acid - CAS 506-12-7

Catalog:	BB027141
Product Name:	Heptadecanoic Acid
CAS:	506-12-7
Synonyms:	heptadecanoic acid; heptadecanoic acid

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	heptadecanoic acid
Description:	Heptadecanoic Acid (CAS# 506-12-7) is a saturated fatty acid and occurs as a trace component of the fat in ruminants.
Molecular Weight:	270.45
Molecular Formula:	C17H34O2
Canonical SMILES:	CCCCCCCCCCCCCCCCC(=O)O
InChI:	InChI=1S/C17H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-16H2,1H3,(H,18,19)
InChI Key:	KEMQGTRYUADPNZ-UHFFFAOYSA-N
Boiling Point:	298.5 °C at 760 mmHg
Melting Point:	61.3 °C
Density:	0.89 g/cm³
Solubility:	4.2 mg/L at 25 °C (exp)
Appearance:	Solid
MDL:	MFCD00002751
LogP:	5.94240

Publication Number	Title	Priority Date
EP-3842060-A1	Stapled lactam co-agonists of the glucagon and glp-1 receptors	20191223
EP-3842061-A1	Stapled triazole co-agonists of the glucagon and glp-1 receptors	20191223
EP-3842449-A1	Stapled olefin co-agonists of the glucagon and glp-1 receptors	20191223
US-2021189018-A1	Hyaluronic acid derivatives	20191220
US-2021189035-A1	Acrylate Copolymer and Use Thereof	20191220

PMID	Publication Date	Title	Journal
29968805	20180703	Insights into myalgic encephalomyelitis/chronic fatigue syndrome phenotypes through comprehensive metabolomics	Scientific reports
26820058	20160401	Benzyl butyl phthalate promotes adipogenesis in 3T3-L1 preadipocytes: A High Content Cellomics and metabolomic analysis	Toxicology in vitro : an international journal published in association with BIBRA
22740104	20120801	Sensitive electrospray mass spectrometry analysis of one-bead-one-compound peptide libraries labeled by quaternary ammonium salts	Molecular diversity
22344322	20120601	Effects of feeding a multivalent polyclonal antibody preparation on feedlot performance, carcass characteristics, rumenitis, and blood gas profile in Bos indicus biotype yearling bulls	Journal of animal science
22378946	20120501	Identification and evaluation of ω-3 fatty acid desaturase genes for hyperfortifying α-linolenic acid in transgenic rice seed	Journal of experimental botany

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[1016519-61-1]
2-(Methyl-2-pyridylamino)acetic Acid

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): 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:	190
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	270.255880323
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	270.255880323
Rotatable Bond Count:	15
Topological Polar Surface Area:	37.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	6.9