isopentyl p-methoxycinnamate

Inquiry

Molecular Formula:

C15H20O3

Molecular Weight:

248.32

CAS Number:

71617-10-2

Catalog Number:

71617-10-2

Product Information

Molecular Formula:

C15H20O3

Molecular Weight:

248.32

Description

Amiloxate is a cinnamate ester.

Synonyms

3-(4-METHOXY-PHENYL)-ACRYLIC ACID PENTYL ESTER; ISOPENTYL-4-METHOXYCINNAMATE; 2-Propenoicacid,3-(4-methoxyphenyl)-,3-methylbutylester; 3-(4-methoxyphenyl)-2-propenoicaci3-methylbutylester; 3-(4-methoxyphenyl)-2-propenoicacid3-methylbutylester; 3-Methylbutyl3-

IUPAC Name

3-methylbutyl (E)-3-(4-methoxyphenyl)prop-2-enoate

Canonical SMILES

CC(C)CCOC(=O)C=CC1=CC=C(C=C1)OC

InChI

InChI=1S/C15H20O3/c1-12(2)10-11-18-15(16)9-6-13-4-7-14(17-3)8-5-13/h4-9,12H,10-11H2,1-3H3/b9-6+

InChI Key

UBNYRXMKIIGMKK-RMKNXTFCSA-N

Boiling Point

362.8ºC at 760 mmHg

Melting Point

< -30

Flash Point

152 °C

Purity

95%

Density

1.031 g/cm3

Solubility

water, 4.858 mg/L @ 25 °C (est)

Appearance

Light yellow to Yellow to Orange clear liquid

Refractive Index

1.56

Safety Information

Hazards

H413:
May cause long-lasting harmful effects to aquatic life.

Precautionary Statement

P273:
Avoid release to the environment.
P501:
Dispose of contents/container in accordance with local/regional/national/international regulations.

Computed Properties

XLogP3

3.9

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

248.14124450 g/mol

Monoisotopic Mass

248.14124450 g/mol

Topological Polar Surface Area

35.5Å²

Heavy Atom Count

Formal Charge

Complexity

263

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
CN-114146010-A	Anhydrous sunscreen gel containing oil-soluble sunscreen agent and preparation method thereof	2021-12-31
CN-114177111-A	Sunscreen spray and preparation method thereof	2021-12-20
CN-113952282-A	Composition with whitening and sunscreen effects and preparation method and application thereof	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
DE-202021106186-U1	Cosmetic preparation for care and treatment of periocular skin	2021-11-11
CN-113876641-A	Cosmetic composition with anti-wrinkle and firming effects and application thereof	2021-11-05
CN-113730269-A	Mild gel with sun-screening effect and preparation method thereof	2021-09-29
CN-113786357-A	Gel with sun-proof, instant and long-acting wrinkle-smoothing effects and preparation method thereof	2021-09-16
CN-113693962-A	Fibronectin-containing multiple protein repair composition and preparation method thereof	2021-08-09

Literatures

PMID	Publication Date	Title	Journal
22512578	2012-07-01	Antioxidant and antimicrobial activities of cinnamic acid derivatives	Mini reviews in medicinal chemistry
23284607	2012-01-01	UV filters, ingredients with a recognized anti-inflammatory effect	PloS one
21210828	2011-02-01	Photo-allergic contact dermatitis caused by isoamyl p-methoxycinnamate in an 'organic' sunscreen	Contact dermatitis
18826142	2008-05-01	[Analysis of the volatile oils chemical constituents of roots of Actinidia deliciosa]	Zhong yao cai = Zhongyaocai = Journal of Chinese medicinal materials

The molarity calculator equation

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

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The dilution calculator equation

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

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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