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103-16-2 molecular structure
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4-(benzyloxy)phenol

ChemBase ID: 482
Molecular Formular: C13H12O2
Molecular Mass: 200.23318
Monoisotopic Mass: 200.08372962
SMILES and InChIs

SMILES:
O(Cc1ccccc1)c1ccc(O)cc1
Canonical SMILES:
Oc1ccc(cc1)OCc1ccccc1
InChI:
InChI=1S/C13H12O2/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-9,14H,10H2
InChIKey:
VYQNWZOUAUKGHI-UHFFFAOYSA-N

Cite this record

CBID:482 http://www.chembase.cn/molecule-482.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(benzyloxy)phenol
IUPAC Traditional name
monobenzone
superlite
Brand Name
AgeRite Alba
Agerite
Alba
Alba-Dome
Benoquin
Carmifal
Depigman
Dermochinona
Leucodinine
Monobenzon
Pigmex
Superlite
Synonyms
4-(Benzyloxy)phenol
4-(Benzyloxy)phenol
p-(BENZYLOXY)PHENOL
Hydrochinon monobenzylether [Czech]
Hydroquinone benzyl ether
Hydroquinone monobenzyl ether
Benzyl p-hydroxyphenyl ether
Benzyl hydroquinone
Benzoquin
Monobenzona [INN-Spanish]
Monobenzone [INN]
Monobenzonum [INN-Latin]
Monobenzyl ether hydroquinone
Monobenzyl Ether of Hydroquinone
Monobenzyl hydroquinone
p-Hydroxyphenyl benzyl ether
Monobenzone
HYDROQUINONE MONOBENZYL ETHER, N F
Benoquin
4-Benzyloxyphenol
Monobenzone
4-Benzyloxyphenol
氢醌单苄醚
4-苄氧基苯酚
CAS Number
103-16-2
EC Number
203-083-3
MDL Number
MFCD00002333
Beilstein Number
1958305
Merck Index
146248
PubChem SID
46507466
24878454
24856519
160963945
24849729
PubChem CID
7638

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem ALOGPS 2.1
Acid pKa 9.91468  H Acceptors
H Donor LogD (pH = 5.5) 3.2364657 
LogD (pH = 7.4) 3.235164  Log P 3.2364824 
Molar Refractivity 59.1147 cm3 Polarizability 23.051167 Å3
Polar Surface Area 29.46 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
Log P 3.08  LOG S -3.71 
Solubility (Water) 3.92e-02 g/l 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Solubility
251 mg/L expand Show data source
Melting Point
118-122°C expand Show data source
118-122°C expand Show data source
119-120 °C expand Show data source
119-120 °C(lit.) expand Show data source
Density
1.26 expand Show data source
1.260 expand Show data source
Hydrophobicity(logP)
3.2 expand Show data source
Storage Condition
-20°C expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant/Store under Argon expand Show data source
RTECS
SJ7700000 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
2 expand Show data source
Risk Statements
36-43 expand Show data source
R:36-43 expand Show data source
Safety Statements
24/25-26-37 expand Show data source
S:26-37-24/25 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H317-H319 expand Show data source
H319-H317 expand Show data source
GHS Precautionary statements
P261-P280-P305+P351+P338-P302+P352-P321-P501A expand Show data source
P280-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Faceshields, Gloves expand Show data source
Gene Information
rat ... Ar(24208) expand Show data source
Purity
≥99% expand Show data source
≥99.0% (HPLC) expand Show data source
95+% expand Show data source
98% expand Show data source
98+% expand Show data source
Grade
NF expand Show data source
purum expand Show data source
Salt Data
Free Base expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Linear Formula
C6H5CH2OC6H4OH expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals DrugBank DrugBank Selleck Chemicals Selleck Chemicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05206584 external link
MP Biomedicals Rare Chemical collection
MP Biomedicals - 05212360 external link
MP Biomedicals Rare Chemical collection
DrugBank - DB00600 external link
Item Information
Drug Groups approved
Description Monobenzone is the monobenzyl ether of hydroquinone used medically for depigmentation. Monobenzone occurs as a white, almost tasteless crystalline powder, soluble in alcohol and practically insoluble in water.

The topical application of monobenzone in animals increases the excretion of melanin from the melanocytes. The same action is thought to be responsible for the depigmenting effect of the drug in humans. Monobenzone may cause destruction of melanocytes and permanent depigmentation.
Indication Used topically to treat the loss of skin color (vitiligo).
Pharmacology Monobenzone is the monobenzyl ether of hydroquinone. Monobenzone, applied topically to the skin, is used as a depigmenting agent inhibitting melanin produced by polymerization of oxidation products of tyrosine and dihydroxyphenyl compounds. Monobenzone works by permanently removing color from normal skin located around skin with vitiligo.
Affected Organisms
Humans and other mammals
External Links
Wikipedia
Drugs.com
Selleck Chemicals - S1652 external link
Research Area: Metabolic Disease
Biological Activity:
Monobenzone is a compound used as a topical agent for medical depigmentation.The topical application of monobenzone in animals decreases the excretion of melanin from melanocytes. The same action is thought to be responsible for the depigmenting effect of the compound in humans. Monobenzone may cause destruction of melanocytes and permanent depigmentation. [1]
Sigma Aldrich - 158348 external link
Packaging
25, 100 g in glass bottle

REFERENCES

REFERENCES

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  • • http://en.wikipedia.org/wiki/Monobenzone
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PATENTS

PATENTS

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INTERNET

INTERNET

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