2,3,4,5-Tetramethyl-2-cyclopentenone, mixture of cis and trans - CAS 54458-61-6
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 |
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 |
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 |
PMID | Publication Date | Title | Journal |
22580569 | 20120628 | Synthesis and structures of (R)-cyclopentadienyl-binaphthoxy titanium(IV) complexes and catalytic properties for olefin polymerization | Dalton transactions (Cambridge, England : 2003) |
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 |
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