Tetradecanedioic acid - CAS 821-38-5

Catalog:	BB036764
Product Name:	Tetradecanedioic acid
CAS:	821-38-5
Synonyms:	tetradecanedioic acid

Technical Data

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Computed Properties

IUPAC Name:	tetradecanedioic acid
Description:	Tetradecanedioic acid (CAS# 821-38-5) is a useful research chemical.
Molecular Weight:	258.35
Molecular Formula:	C14H26O4
Canonical SMILES:	C(CCCCCCC(=O)O)CCCCCC(=O)O
InChI:	InChI=1S/C14H26O4/c15-13(16)11-9-7-5-3-1-2-4-6-8-10-12-14(17)18/h1-12H2,(H,15,16)(H,17,18)
InChI Key:	HQHCYKULIHKCEB-UHFFFAOYSA-N
Boiling Point:	427.81 ℃ (rough estimate)
Melting Point:	124-127 ℃ (lit.)
Purity:	98 %
Density:	1.038 g/cm³
Solubility:	0.2 mg/mL
Appearance:	White fine powder
MDL:	MFCD00002743
LogP:	3.83680
Refractive Index:	1.4650 (estimate)

Publication Number	Title	Priority Date
CN-113493598-A	Biodegradable polyester and preparation method thereof	20210816
CN-113307968-A	Polyamide elastomer with shape memory and preparation method thereof	20210701
CN-113292829-A	Polyester composition, preparation method thereof and polyester composition film layer containing same	20210630
CN-113429565-A	High-toughness semi-aromatic polyamide resin and preparation method thereof	20210629
CN-113336938-A	Low-melting-point copolymerized nylon resin and preparation method and application thereof	20210618

PMID	Publication Date	Title	Journal
19578400	20090701	Mitochondrial 2,4-dienoyl-CoA reductase deficiency in mice results in severe hypoglycemia with stress intolerance and unimpaired ketogenesis	PLoS genetics
17442273	20070608	Beta-oxidation in hepatocyte cultures from mice with peroxisomal gene knockouts	Biochemical and biophysical research communications
17266343	20070227	Self-assembled monolayers of alkanoic acids on the native oxide surface of SS316L by solution deposition	Langmuir : the ACS journal of surfaces and colloids
15801461	20040302	Electrochemical control of protein monolayers at indium tin oxide surfaces for the reagentless optical biosensing of nitric oxide	Langmuir : the ACS journal of surfaces and colloids
14987827	20040201	Alkyl and carboxylalkyl esters of 4'-demethyl-4-deoxypodophyllotoxin: synthesis, cytotoxic, and antitumor activity	European journal of medicinal chemistry

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GHS Hazard Statement:	H315 (51.85%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	202
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	258.18310931
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	258.18310931
Rotatable Bond Count:	13
Topological Polar Surface Area:	74.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.3