Allyl 4-Hydroxybenzoate

Inquiry

Molecular Formula:

C10H10O3

Molecular Weight:

178.18

CAS Number:

18982-18-8

Catalog Number:

18982-18-8

Product Information

Molecular Formula:

C10H10O3

Molecular Weight:

178.18

Description

Allyl 4-Hydroxybenzoate is a remarkable biomedicine constituent that serves as a potent active component integrated into topical emollients and salves. Renowned for its admirable anti-inflammatory and analgesic attributes, this substance exhibits remarkable efficacy in rectifying dermatological afflictions including eczema, psoriasis, and dermatitis. Notably, Allyl 4-Hydroxybenzoate boasts gentle antiseptic qualities, thereby lavishly mollifying the affected region while bolstering the physiological recuperative process.

Synonyms

Allylparaben||||4-Hydroxybenzoic Acid Allyl Ester

IUPAC Name

prop-2-enyl 4-hydroxybenzoate

Canonical SMILES

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

InChI

InChI=1S/C10H10O3/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h2-6,11H,1,7H2

InChI Key

NVNSVQJVBIWZNM-UHFFFAOYSA-N

Melting Point

103 °C

Purity

>98.0%(GC)(T)

Appearance

White to Almost white powder to crystal

Safety Information

Hazards

H317:
May cause an allergic skin reaction.

Precautionary Statement

P261:
Avoid breathing dust, fumes, gas, mist, vapours, spray. [As modified by IV ATP].
P272:
Contaminated work clothing should not be allowed out of the workplace.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P333+P313:
If skin irritation or a rash occurs:
Get medical advice/attention.
P362+P364:
Take off contaminated clothing. [As modified by IV ATP].
And wash it before reuse. [Added by IV ATP].
P501:
Dispose of contents/container in accordance with local/regional/national/international regulations.

Computed Properties

XLogP3

2.1

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

178.062994177 g/mol

Monoisotopic Mass

178.062994177 g/mol

Topological Polar Surface Area

46.5Å²

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
US-11020349-B1	Transmucosal dosage forms of remdesivir	2020-07-14
US-11021531-B1	Anti-SARS-Cov-2 antibodies derived from 2GHW	2020-03-23
US-11021532-B1	Superhuman anti-SARS-CoV-2 antibodies and uses thereof	2020-03-23
US-11028150-B1	Anti-SARS-CoV-2 antibodies derived from 2DD8	2020-03-23
US-11028167-B1	Anti-SARS-Cov-2 antibodies derived from 3bgf	2020-03-23
US-11034762-B1	Anti-SARS-Cov-2 antibodies derived from CR3022	2020-03-23
CN-113350364-A	Application of pearl plum extract in preparation of medicine for preventing and treating pulmonary fibrosis	2020-03-06
US-2021187027-A1	Novel il2 agonists and methods of use thereof	2019-12-20
US-2021188934-A1	Novel il2 agonists and methods of use thereof	2019-12-20
US-2021189427-A1	Compositions and methods for gene delivery to the airways and/or lungs	2019-12-20

Literatures

PMID	Publication Date	Title	Journal
21582877	2009-06-17	Allyl 4-hydroxy-phenyl carbonate	Acta crystallographica. Section E, Structure reports online

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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