5-Isopropyl-1,3-cyclohexanedione - CAS 18456-87-6

Name: 5-Isopropyl-1,3-cyclohexanedione
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB014147
Product Name:	5-Isopropyl-1,3-cyclohexanedione
CAS:	18456-87-6
Synonyms:	5-propan-2-ylcyclohexane-1,3-dione

Technical Data

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Patents

Computed Properties

IUPAC Name:	5-propan-2-ylcyclohexane-1,3-dione
Description:	5-Isopropyl-1,3-cyclohexanedione (CAS# 18456-87-6) is a useful research chemical.
Molecular Weight:	154.21
Molecular Formula:	C9H14O2
Canonical SMILES:	CC(C)C1CC(=O)CC(=O)C1
InChI:	InChI=1S/C9H14O2/c1-6(2)7-3-8(10)5-9(11)4-7/h6-7H,3-5H2,1-2H3
InChI Key:	DUKZQEYDAFUJMK-UHFFFAOYSA-N
Boiling Point:	259.1 °C at 760 mmHg
Density:	1.017 g/cm³
MDL:	MFCD00075263
LogP:	1.58070

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[956439-56-8]C6H5N3O6
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[1431966-64-1]C10H17ClN2O2S
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[253429-30-0]C12H16BrFO3
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene

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

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Complexity:	166
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	154.099379685
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	154.099379685
Rotatable Bond Count:	1
Topological Polar Surface Area:	34.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2