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2,3,4,5-Tetramethyl-2-cyclopentenone, mixture of cis and trans

2,3,4,5-Tetramethyl-2-cyclopentenone, mixture of cis and trans - CAS 54458-61-6

Name: 2,3,4,5-Tetramethyl-2-cyclopentenone, mixture of cis and trans
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB028676
Product Name:	2,3,4,5-Tetramethyl-2-cyclopentenone, mixture of cis and trans
CAS:	54458-61-6
Synonyms:	2,3,4,5-tetramethylcyclopent-2-en-1-one

Technical Data

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Computed Properties

IUPAC Name:	2,3,4,5-tetramethylcyclopent-2-en-1-one
Description:	2,3,4,5-Tetramethyl-2-cyclopentenone, mixture of cis and trans (CAS# 54458-61-6) is a building block used in chemical synthesis of various compounds.
Molecular Weight:	138.21
Molecular Formula:	C9H14O
Canonical SMILES:	CC1C(C(=O)C(=C1C)C)C
InChI:	InChI=1S/C9H14O/c1-5-6(2)8(4)9(10)7(5)3/h5,7H,1-4H3
InChI Key:	ARUAYSANQMCCEN-UHFFFAOYSA-N
Boiling Point:	100 °C (30 mmHg)
Density:	0.917 g/cm³
MDL:	MFCD00010248
LogP:	2.17770

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[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
[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[17746-05-3]C11H21ClO
Undecanoyl chloride
[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-111253201-A	Preparation method of 1,2,3, 4-tetramethyl-1, 3-cyclopentadiene	20200312
CN-109224813-A	It is a kind of efficiently to remove formaldehyde concentrate composition and preparation method thereof containing Cypress ethereal oil	20181009
WO-2020058267-A1	Catalyst mixture	20180918
CN-112703208-A	Catalyst mixture	20180918
EP-3853265-A1	Catalyst mixture	20180918

Complexity:	201
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	138.104465066
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	138.104465066
Rotatable Bond Count:	0
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	2
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7