Prohydrojasmon - CAS 158474-72-7

Catalog:	BB053730
Product Name:	Prohydrojasmon
CAS:	158474-72-7
Synonyms:	propyl2-[(1R,2R)-3-oxo-2-pentylcyclopentyl]acetate; Prohydrojasmon; 178602-66-9; Prohydrojasmon[ISO]; SCHEMBL119966; CHEBI:81814

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	propyl 2-(3-oxo-2-pentylcyclopentyl)acetate
Molecular Weight:	254.37
Molecular Formula:	C15H26O3
Canonical SMILES:	CCCCCC1C(CCC1=O)CC(=O)OCCC
InChI:	InChI=1S/C15H26O3/c1-3-5-6-7-13-12(8-9-14(13)16)11-15(17)18-10-4-2/h12-13H,3-11H2,1-2H3
InChI Key:	IPDFPNNPBMREIF-UHFFFAOYSA-N
Boiling Point:	340.2°C at 760mmHg
Purity:	98%
Density:	0.967g/cm3
Appearance:	Off-white Solid

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[87-88-7]
Chloranilic acid
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone

Cyclopentane

[1431965-90-0]
1-Cyclopentyl-5-methylpyrazol-3-amine hydrochloride
[158414-44-9]
(1R,2R)-2-aminocyclopentane-1-carboxylic acid hydrochloride
[911060-82-7]
1-(Hydroxymethyl)cyclopentane-1-carbonitrile
[524732-38-5]
4-(Cyclopentyloxy)-3-ethoxybenzaldehyde
[158474-72-7]
Prohydrojasmon
[1018127-70-2]
3-[2-Cyclopentyl-4-(difluoromethyl)-6-oxo-2,6-dihydro-7H-pyrazolo[3,4-b]pyridin-7-yl]propanoic acid

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]; H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement:	P261, P264, P264+P265, P271, P273, 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:	273
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	254.18819469
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	254.18819469
Rotatable Bond Count:	9
Topological Polar Surface Area:	43.4
Undefined Atom Stereocenter Count:	2
Undefined Bond Stereocenter Count:	0
XLogP3:	3.6