2-Allylcyclohexanone - CAS 94-66-6
Catalog: |
BB041451 |
Product Name: |
2-Allylcyclohexanone |
CAS: |
94-66-6 |
Synonyms: |
2-prop-2-enylcyclohexan-1-one |
IUPAC Name: | 2-prop-2-enylcyclohexan-1-one |
Description: | 2-Allylcyclohexanone (CAS# 94-66-6) is a useful research chemical. |
Molecular Weight: | 138.21 |
Molecular Formula: | C9H14O |
Canonical SMILES: | C=CCC1CCCCC1=O |
InChI: | InChI=1S/C9H14O/c1-2-5-8-6-3-4-7-9(8)10/h2,8H,1,3-7H2 |
InChI Key: | UPGHEUSRLZSXAE-UHFFFAOYSA-N |
Boiling Point: | 94 °C (23 mmHg) |
Purity: | 97 % |
Density: | 0.927 g/cm3 |
Appearance: | Clear light yellow liquid |
Storage: | Inert atmosphere, Room Temperature |
MDL: | MFCD00043548 |
LogP: | 2.32180 |
Refractive Index: | 1.47 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020199555-A1 | Preparation and application of alkyl cyclohexanol polyoxyethylene ether emulsifying agent | 20190404 |
WO-2020189661-A1 | METHOD FOR PRODUCING α-ALLYLATION CYCLOALKANONE | 20190318 |
WO-2020189670-A1 | METHOD FOR PRODUCING α â€" ALLYLATED CYCLOALKANONE | 20190318 |
US-2020087276-A1 | Chemical process to manufacture branched-caprolactone | 20180917 |
EP-3480190-A1 | Methods for enantioselective allylic alkylation of esters, lactones, and lactams with unactivated allylic alcohols | 20171101 |
PMID | Publication Date | Title | Journal |
15976865 | 20050707 | Iodo- and bromo-enolcyclization of 2-(2-propenyl)cyclohexanediones and 2-(2-propenyl)cyclohexenone derivatives using iodine in methanol and pyridinium hydrobromide perbromide in dichloromethane | Organic & biomolecular chemistry |
Complexity: | 138 |
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: | 2 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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