Hexacosanoic acid - CAS 506-46-7

Catalog:	BB027165
Product Name:	Hexacosanoic acid
CAS:	506-46-7
Synonyms:	hexacosanoic acid

Technical Data

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Computed Properties

IUPAC Name:	hexacosanoic acid
Description:	Hexacosanoic acid (CAS# 506-46-7) is a compound useful in organic synthesis.
Molecular Weight:	396.69
Molecular Formula:	C26H52O2
Canonical SMILES:	CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O
InChI:	InChI=1S/C26H52O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27)28/h2-25H2,1H3,(H,27,28)
InChI Key:	XMHIUKTWLZUKEX-UHFFFAOYSA-N
Boiling Point:	250 ℃
Melting Point:	86-87°C
Flash Point:	187.6°C
Density:	0.81 g/cm³
Solubility:	water, 5.778e-007 mg/L @ 25 °C (est)
Appearance:	White solid
Storage:	2-8°C
MDL:	MFCD00002811
LogP:	9.45330
Refractive Index:	1.4301

Publication Number	Title	Priority Date
US-2021007978-A1	Fixed Dose Oral Testosterone Undecanoate Compositions and Use Thereof	20200925
WO-2021123164-A1	Oily solid cosmetic	20191220
WO-2021123332-A1	Lipid nanoparticles for delivery of nucleic acids	20191220
WO-2021123377-A1	Composition for the treatment of inflammation and/or associated morbidities thereto	20191220
WO-2021123419-A1	Composition for the treatment of amyloid-beta associated diseases	20191220

PMID	Publication Date	Title	Journal
22447153	20121101	Bezafibrate lowers very long-chain fatty acids in X-linked adrenoleukodystrophy fibroblasts by inhibiting fatty acid elongation	Journal of inherited metabolic disease
22189598	20120901	A mixture of oleic, erucic and conjugated linoleic acids modulates cerebrospinal fluid inflammatory markers and improve somatosensorial evoked potential in X-linked adrenoleukodystrophy female carriers	Journal of inherited metabolic disease
22635115	20120701	Arabidopsis ECERIFERUM9 involvement in cuticle formation and maintenance of plant water status	Plant physiology
22521832	20120628	Evidence of oxidative stress in very long chain fatty acid--treated oligodendrocytes and potentialization of ROS production using RNA interference-directed knockdown of ABCD1 and ACOX1 peroxisomal proteins	Neuroscience
22508517	20120601	The inflammatory response in acyl-CoA oxidase 1 deficiency (pseudoneonatal adrenoleukodystrophy)	Endocrinology

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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:	301
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	396.396730897
Formal Charge:	0
Heavy Atom Count:	28
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	396.396730897
Rotatable Bond Count:	24
Topological Polar Surface Area:	37.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	11.8