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120-47-8 molecular structure
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ethyl 4-hydroxybenzoate

ChemBase ID: 102157
Molecular Formular: C9H10O3
Molecular Mass: 166.1739
Monoisotopic Mass: 166.06299418
SMILES and InChIs

SMILES:
CCOC(=O)c1ccc(O)cc1
Canonical SMILES:
CCOC(=O)c1ccc(cc1)O
InChI:
InChI=1S/C9H10O3/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6,10H,2H2,1H3
InChIKey:
NUVBSKCKDOMJSU-UHFFFAOYSA-N

Cite this record

CBID:102157 http://www.chembase.cn/molecule-102157.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 4-hydroxybenzoate
IUPAC Traditional name
ethylparaben
Synonyms
ethyl 4-hydroxybenzoate
Ethyl parahydroxybenzoate
Ethyl para-hydroxybenzoate
Ethyl p-hydroxybenzoate
4-Hydroxybenzoic acid ethyl ester
Ethylparaben
Ethylparaben
Ethylparaben
Ethyl 4-hydroxybenzoate
4-(Ethoxycarbonyl)phenol
4-Carbethoxyphenol
Aseptin A
Aseptoform E
Easeptol
Ethyl Butex
Mekkings E
Mycocten
NSC 23514
p-Carbethoxyphenol
Ethyl Paraben
E.C. 1.11.1.6
CATALASE
Ethyl paraben
Ethyl 4-hydroxybenzoate
ETHYL p-HYDROXYBENZOATE
对羟基苯甲酸乙酯
尼泊金乙酯
尼泊金乙酯
对羟基苯甲酸乙酯
4-羟基苯甲酸乙酯
CAS Number
120-47-8
9001-05-2
EC Number
204-399-4
232-577-1
MDL Number
MFCD00002353
Beilstein Number
1101972
Merck Index
143837
PubChem SID
24847055
162089554
PubChem CID
8434
ATC CODE
D01AE10
CHEMBL
15841
Chemspider ID
13846749
KEGG ID
D01647
MeSH Name
ethyl-p-hydroxybenzoate
Unique Ingredient Identifier
14255EXE39
Wikipedia Title
Ethylparaben

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 8.500252  H Acceptors
H Donor LogD (pH = 5.5) 2.0295346 
LogD (pH = 7.4) 1.9970232  Log P 2.0299654 
Molar Refractivity 44.8128 cm3 Polarizability 17.203001 Å3
Polar Surface Area 46.53 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Chloroform expand Show data source
Methanol expand Show data source
Apperance
Off-White Solid expand Show data source
Powder expand Show data source
Melting Point
105-107°C expand Show data source
110-120°C expand Show data source
114-117 °C(lit.) expand Show data source
115–118 °C expand Show data source
116-118°C expand Show data source
Boiling Point
297–298 °C expand Show data source
297-298 °C(lit.) expand Show data source
297-298°C expand Show data source
297-298°C dec. expand Show data source
Flash Point
248 °C expand Show data source
Density
1.2 g/ml expand Show data source
Storage Condition
2-8°C expand Show data source
Refrigerator expand Show data source
Room Temperature (15-30°C) expand Show data source
RTECS
DH2190000 expand Show data source
FI4378000 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
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German water hazard class
1 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H303 expand Show data source
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
P312 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
≥99.0% expand Show data source
97% expand Show data source
98% expand Show data source
99% expand Show data source
Grade
ReagentPlus® expand Show data source
SAJ first grade expand Show data source
Certificate of Analysis
Download expand Show data source
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Download expand Show data source
Pharmacopeia Traceability
traceable to PhEur E2425000 expand Show data source
traceable to USP 1267000 expand Show data source
Linear Formula
HOC6H4CO2C2H5 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich TRC TRC
MP Biomedicals - 05211207 external link
MP Biomedicals Rare Chemical collection
MP Biomedicals - 02151092 external link
Crystalline
MP Biomedicals - 02100402 external link
Fungal suspension from Aspergillus niger. E.C.1.11.1.6 Activity: 1000 units/ml
Unit Definition: One unit decomposes 1.0 μmole of H2O2 per minute at pH 7.0, 25°C.
Sigma Aldrich - 111988 external link
Packaging
100, 500 g in poly bottle
5 g in glass bottle
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC
Toronto Research Chemicals - E925475 external link
An antimicrobial agent used in cosmetic products.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Gilliland, D., et al.: J. Appl. Bacteriol., 72, 258 (1992)
  • • Routledge, E., et al.: Toxicol. Appl. Pharmacol., 153, 12 (1992)
  • • Miller, C., et al.: J. Biol. Chem., 272, 32824 (1992)
  • • Nakagawa, Y., et al.: Biochem. Pharmacol., 55, 1907 (1992)
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PATENTS

PATENTS

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INTERNET

INTERNET

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