3-Methyl-2-cyclopentenone - CAS 2758-18-1
Catalog: |
BB019616 |
Product Name: |
3-Methyl-2-cyclopentenone |
CAS: |
2758-18-1 |
Synonyms: |
3-methylcyclopent-2-en-1-one |
IUPAC Name: | 3-methylcyclopent-2-en-1-one |
Description: | 3-Methyl-2-cyclopentenone (CAS# 2758-18-1) is a useful research chemical. |
Molecular Weight: | 96.13 |
Molecular Formula: | C6H8O |
Canonical SMILES: | CC1=CC(=O)CC1 |
InChI: | InChI=1S/C6H8O/c1-5-2-3-6(7)4-5/h4H,2-3H2,1H3 |
InChI Key: | CHCCBPDEADMNCI-UHFFFAOYSA-N |
Boiling Point: | 74 °C (15 mmHg) |
Density: | 0.98 g/cm3 |
Solubility: | soluble in water; soluble in oil |
Appearance: | Pale straw-coloured liquid |
MDL: | MFCD00001403 |
LogP: | 1.29560 |
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-113267434-A | Cigarette smoke oral deposition simulation device and method | 20210623 |
CN-112796145-A | Moss scented cigarette paper, its preparation method and use | 20210202 |
US-11033516-B1 | Combination therapies with disulfiram | 20200918 |
US-11065214-B1 | Combination therapies with disulfiram | 20200918 |
CN-112028757-A | Preparation method of 3-methyl-2-cyclopentene-1-ketone | 20200908 |
PMID | Publication Date | Title | Journal |
22797778 | 20120713 | Antimycobacterial activity of constituents from Foeniculum vulgare var. dulce grown in Mexico | Molecules (Basel, Switzerland) |
22173925 | 20120301 | Structure elucidation of the diagnostic product ion at m/z 97 derived from androst-4-en-3-one-based steroids by ESI-CID and IRMPD spectroscopy | Journal of the American Society for Mass Spectrometry |
18095682 | 20080116 | Origins of selectivity for the [2+2] cycloaddition of alpha,beta-unsaturated ketones within a porous self-assembled organic framework | Journal of the American Chemical Society |
12967102 | 20030901 | Particle growth by acid-catalyzed heterogeneous reactions of organic carbonyls on preexisting aerosols | Environmental science & technology |
Complexity: | 122 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 96.057514874 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 96.057514874 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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