Allyl cyclohexylpropionate
Product Information
Molecular Formula
C12H20O2
Molecular Weight
196.29
Description
Allyl cyclohexylpropionate is a fatty acid ester.
Synonyms
3-allyl-cyclohexanopropionate; 3-Allylcyclohexyl propionate; 3-allylcyclohexylpropionate; Allyl 3-cyclohexylpropanoate; allyl cyclohexylpropanoate; Allyl hexahydrophenylpropionate; Allylcyclohxylpropionate; allylhexahydrophenylpropionate
IUPAC Name
prop-2-enyl 3-cyclohexylpropanoate
SMILES
C=CCOC(=O)CCC1CCCCC1
InChI
InChI=1S/C12H20O2/c1-2-10-14-12(13)9-8-11-6-4-3-5-7-11/h2,11H,1,3-10H2
InChI Key
TWXUTZNBHUWMKJ-UHFFFAOYSA-N
Boiling Point
91 °C/1 mmHg
Flash Point
126 °C
Purity
98%
Density
0.9450~0.9530 at 25 °C
Solubility
6.949 mg/L at 25 °C (est)
Appearance
Colorless to Almost colorless clear liquid
Refractive Index
1.46
LogP
4.081 (est)
Safety Information
Hazards
H302
Precautionary Statement
P501 P270 P264 P301 + P312 + P330
Computed Properties
XLogP3
3.8
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
6
Exact Mass
196.146329876 g/mol
Monoisotopic Mass
196.146329876 g/mol
Topological Polar Surface Area
26.3Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
181
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| JP-2022016629-A | Gingival care agent and oral composition for gingival care containing it | 2021-11-25 |
| DE-202021106362-U1 | Cosmetic preparation for intensive care and treatment of facial skin | 2021-11-22 |
| DE-202021106363-U1 | Cosmetic preparation for the care and treatment of facial skin | 2021-11-22 |
| JP-2022031761-A | How to improve the solubility of poorly water-soluble ingredients | 2021-11-22 |
| JP-2022036981-A | Cosmetic blend | 2021-11-19 |
| DE-202021106186-U1 | Cosmetic preparation for care and treatment of periocular skin | 2021-11-11 |
| CN-113558281-A | Flavor composition and electronic cigarette liquid containing same | 2021-08-23 |
| DE-202021102468-U1 | Multi-chamber system for storing and mixing components of cosmetic formulations | 2021-05-06 |
| CN-113265299-A | Watermelon essence and electronic atomized liquid containing same | 2021-04-21 |
| CN-113150864-A | Natural and fresh flower and fruit flavor essence and preparation method and application thereof | 2021-03-02 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 16717034 | 2006-05-01 | The effects of vehicles on the human dermal irritation potentials of allyl esters | International journal of toxicology |
