2-Oxooctanoic acid - CAS 328-51-8

Name: 2-Oxooctanoic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB021436
Product Name:	2-Oxooctanoic acid
CAS:	328-51-8
Synonyms:	2-oxooctanoic acid

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Computed Properties

IUPAC Name:	2-oxooctanoic acid
Description:	2-Oxooctanoic acid (CAS# 328-51-8 ) is a useful research chemical.
Molecular Weight:	158.19
Molecular Formula:	C8H14O3
Canonical SMILES:	CCCCCCC(=O)C(=O)O
InChI:	InChI=1S/C8H14O3/c1-2-3-4-5-6-7(9)8(10)11/h2-6H2,1H3,(H,10,11)
InChI Key:	GPPUPQFYDYLTIY-UHFFFAOYSA-N
Boiling Point:	82 °C / 0.05 mmHg
Melting Point:	33-36 °C
Purity:	95 %
Density:	1.038 g/cm³
Appearance:	Solid
Storage:	2-8 °C
MDL:	MFCD00042721
LogP:	1.61050

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[957292-12-5]C8H10N2O2
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-112812980-A	Mixed fermentation process based on Hansenula polymorpha and saccharomyces cerevisiae	20210219
CN-212787418-U	Aerosol-generating system	20191128
WO-2021086944-A1	Microorganisms and methods for recucing by-products	20191030
WO-2021081185-A1	Microorganisms and methods for increasing co-factors	20191023
KR-102239455-B1	Cyclic block copolymers for drug delivery and method for preparing the same	20190830

PMID	Publication Date	Title	Journal
25242482	20141001	Synthetic fermentation of bioactive non-ribosomal peptides without organisms, enzymes or reagents	Nature chemistry
21205930	20110101	From amino acid to glucosinolate biosynthesis: protein sequence changes in the evolution of methylthioalkylmalate synthase in Arabidopsis	The Plant cell
19555185	20091001	Dual effects of aliphatic carboxylic acids on cresolase and catecholase reactions of mushroom tyrosinase	Journal of enzyme inhibition and medicinal chemistry
17725817	20070828	Decrease in oxidative phosphorylation yield in presence of butyrate in perfused liver isolated from fed rats	BMC physiology
16121256	20050801	Medium-chain acyl-CoA dehydrogenase deficiency in gene-targeted mice	PLoS genetics

Complexity:	140
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	158.094294304
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	158.094294304
Rotatable Bond Count:	6
Topological Polar Surface Area:	54.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1