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
Canonical 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
(@25°C/25°C):0.9450~0.9530
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
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

Related Products

Online Inquiry
  • Verification code
USA
  • International:
  • US & Canada (Toll free):
  • Email:
  • Fax:
UK
  • Email:
Copyright © 2024 BOC Sciences. All rights reserved.
Inquiry Basket