cis-5-Dodecenoic acid - CAS 2430-94-6

Catalog:	BB018405
Product Name:	cis-5-Dodecenoic acid
CAS:	2430-94-6
Synonyms:	(Z)-dodec-5-enoic acid

Technical Data

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Computed Properties

IUPAC Name:	(Z)-dodec-5-enoic acid
Description:	cis-5-Dodecenoic acid (CAS# 2430-94-6) is a fatty acid and a component of the essential oils of certain plants, such as Paeonia lactiflora Pall., and is used as biofuel.
Molecular Weight:	198.30
Molecular Formula:	C12H22O2
Canonical SMILES:	CCCCCCC=CCCCC(=O)O
InChI:	InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h7-8H,2-6,9-11H2,1H3,(H,13,14)/b8-7-
InChI Key:	IJBFSOLHRKELLR-FPLPWBNLSA-N
Boiling Point:	310.6 °C at 760 mmHg
Density:	0.922 g/cm³
Solubility:	9.123 mg/L at 25 °C (est)
Appearance:	Liquid
MDL:	MFCD00239341
LogP:	3.76790

Publication Number	Title	Priority Date
CN-112126264-A	Magnesium alloy anticorrosion and wear-resistant coating composition and use method thereof	20200915
WO-2021205797-A1	Cleaning solution for semiconductor substrate	20200410
WO-2021188389-A2	Cationic lipids for lipid nanoparticle delivery of therapeutics to hepatic stellate cells	20200317
WO-2021070942-A1	Modified enzyme having n-acylation activity	20191010
US-2021052910-A1	Therapeutic systems using magnetic fields	20190822

PMID	Publication Date	Title	Journal
22649385	20110101	Biosynthetic Pathway for Sex Pheromone Components Produced in a Plusiinae Moth, Plusia festucae	Frontiers in endocrinology
20565070	20100723	An efficient and economical MTT assay for determining the antioxidant activity of plant natural product extracts and pure compounds	Journal of natural products
19679654	20091023	Escherichia coli unsaturated fatty acid synthesis: complex transcription of the fabA gene and in vivo identification of the essential reaction catalyzed by FabB	The Journal of biological chemistry
14871622	20040301	Sex pheromone biosynthesis in the pine caterpillar moth, Dendrolimus punctatus (Lepidoptera: Lasiocampidae): pathways leading to Z5-monoene and 5,7-conjugated diene components	Insect biochemistry and molecular biology
11929276	20020410	Antioxidant and cyclooxygenase activities of fatty acids found in food	Journal of agricultural and food chemistry

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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	162
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	198.161979940
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	198.161979940
Rotatable Bond Count:	9
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4