Allyl cyclohexylpropionate

Inquiry

Molecular Formula:

C12H20O2

Molecular Weight:

196.29

CAS Number:

2705-87-5

Catalog Number:

2705-87-5

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 ℃/1 mmHg

Flash Point

126 ℃

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

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

196.146329876 g/mol

Monoisotopic Mass

196.146329876 g/mol

Topological Polar Surface Area

26.3Å²

Heavy Atom Count

Formal Charge

Complexity

181

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

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

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The dilution calculator equation

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