Allyl 4-Hydroxybenzoate
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
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.
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.
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
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
4
Exact Mass
178.062994177 g/mol
Monoisotopic Mass
178.062994177 g/mol
Topological Polar Surface Area
46.5Ų
Heavy Atom Count
13
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 |
|---|---|---|
| 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 |
