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25154-52-3 molecular structure
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4-nonylphenol

ChemBase ID: 88241
Molecular Formular: C15H24O
Molecular Mass: 220.35046
Monoisotopic Mass: 220.18271539
SMILES and InChIs

SMILES:
Oc1ccc(cc1)CCCCCCCCC
Canonical SMILES:
CCCCCCCCCc1ccc(cc1)O
InChI:
InChI=1S/C15H24O/c1-2-3-4-5-6-7-8-9-14-10-12-15(16)13-11-14/h10-13,16H,2-9H2,1H3
InChIKey:
IGFHQQFPSIBGKE-UHFFFAOYSA-N

Cite this record

CBID:88241 http://www.chembase.cn/molecule-88241.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-nonylphenol
IUPAC Traditional name
4-nonylphenol
Synonyms
Phenol, nonyl-
4-Nonylphenol
p-Nonylphenol
para-Nonylphenol
p-n-Nonylphenol
4-n-Nonylphenol
1-Nonyl-4-phenol
Nonylphenol
NONYLPHENOL
4-n-Nonylphenol
4-Nonylphenol
1-(4-Hydroxyphenyl)nonane
4-Non-1-ylphenol
4-n-Nonylphenol
p-Nonylhenol
4-n-Nonyl Phenol
p-NP
p-Nonylphenol
p-n-Nonylphenol
4-Nonyl Phenol
壬基酚
4-壬基酚
4-正壬基苯酚
CAS Number
25154-52-3
104-40-5
84852-15-3
EC Number
284-325-5
203-199-4
246-672-0
MDL Number
MFCD00002396
Beilstein Number
2047450
PubChem SID
24870131
24886692
24868032
24869660
162075229
24857492
PubChem CID
1752
CHEBI ID
34440
CHEMBL
153062
Chemspider ID
1688
Wikipedia Title
1-Nonyl-4-phenol

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.306872  H Acceptors
H Donor LogD (pH = 5.5) 5.7396445 
LogD (pH = 7.4) 5.739116  Log P 5.739651 
Molar Refractivity 69.8881 cm3 Polarizability 27.474464 Å3
Polar Surface Area 20.23 Å2 Rotatable Bonds
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Solubility
Chloroform expand Show data source
Ethyl Acetate expand Show data source
Apperance
Pale Brown Low Melting Solid expand Show data source
White crystals expand Show data source
Melting Point
2°C expand Show data source
43-45 °C expand Show data source
43-45°C expand Show data source
43-45°C expand Show data source
43-46°C expand Show data source
Boiling Point
127-130°C/27mm expand Show data source
180-181 °C expand Show data source
295°C expand Show data source
Flash Point
>110°C expand Show data source
>113 °C expand Show data source
>235.4 °F expand Show data source
113 °C expand Show data source
150°C(302°F) expand Show data source
235 °F expand Show data source
235.4 °F expand Show data source
Density
0.937 expand Show data source
0.937 g/mL at 25 °C(lit.) expand Show data source
0.94 expand Show data source
0.95 g/ml expand Show data source
Refractive Index
1.5110 expand Show data source
n20/D 1.511(lit.) expand Show data source
n20/D 1.512 expand Show data source
Storage Condition
Refrigerator expand Show data source
Storage Warning
Corrosive expand Show data source
RTECS
SM5600000 expand Show data source
SM5630000 expand Show data source
SM5650000 expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Nature polluting Nature polluting (N) expand Show data source
X expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
2430 expand Show data source
3145 expand Show data source
UN2430 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
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
2 expand Show data source
III expand Show data source
Risk Statements
22-34 expand Show data source
22-34-50/53 expand Show data source
22-34-62-50/53-63 expand Show data source
63-22-34-50/53-62 expand Show data source
R:22-34 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
26-36/37/39-45-46-60-61 expand Show data source
26-36/37/39-45-60-61 expand Show data source
S:26-27/28-36/37/39-46-64 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS07 expand Show data source
GHS08 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H302-H314-H361fd-H410 expand Show data source
H302-H314-H410 expand Show data source
H314-H318-H361-H400-H410-H302 expand Show data source
GHS Precautionary statements
P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A expand Show data source
P273-P280-P305 + P351 + P338-P310-P501 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges expand Show data source
Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 2430 8/PG 2 expand Show data source
UN 3145 8/PG 2 expand Show data source
Gene Information
mouse ... Esr1(13982)rat ... Ar(24208) expand Show data source
Purity
~85% (based on content of p-isomers (mixture of compounds with branched side chain)) expand Show data source
98+% expand Show data source
Grade
analytical standard expand Show data source
PESTANAL®, analytical standard expand Show data source
technical expand Show data source
technical grade expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Packaging
ampule of 100 mg expand Show data source
Linear Formula
CH3(CH2)8C6H4OH expand Show data source
Empirical Formula (Hill Notation)
C15H24O expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich TRC TRC
Sigma Aldrich - 290858 external link
Packaging
1, 3 L in glass bottle
25 mL in glass bottle
Sigma Aldrich - 46018 external link
Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH
Sigma Aldrich - 46405 external link
Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH
Toronto Research Chemicals - N650430 external link
Used in the process for the manufacture of 5-nonyl salicylaldoxime, which is used for the selective purification and concentration of copper ions.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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