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27193-86-8 molecular structure
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4-dodecylphenol

ChemBase ID: 107652
Molecular Formular: C18H30O
Molecular Mass: 262.4302
Monoisotopic Mass: 262.22966558
SMILES and InChIs

SMILES:
CCCCCCCCCCCCc1ccc(O)cc1
Canonical SMILES:
CCCCCCCCCCCCc1ccc(cc1)O
InChI:
InChI=1S/C18H30O/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(19)16-14-17/h13-16,19H,2-12H2,1H3
InChIKey:
KJWMCPYEODZESQ-UHFFFAOYSA-N

Cite this record

CBID:107652 http://www.chembase.cn/molecule-107652.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-dodecylphenol
IUPAC Traditional name
dodecylphenol
Synonyms
4-Dodecylphenol, mixture of isomers
p-DODECYLPHENOL
4-dodecylphenol
4-十二烷基苯酚,同分异构体混合物
CAS Number
27193-86-8
104-43-8
EC Number
203-202-9
248-312-8
MDL Number
MFCD00039521
PubChem SID
24863018
162093571
PubChem CID
66030

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 66030 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.306872  H Acceptors
H Donor LogD (pH = 5.5) 7.0733504 
LogD (pH = 7.4) 7.0728226  Log P 7.073357 
Molar Refractivity 83.6911 cm3 Polarizability 33.01488 Å3
Polar Surface Area 20.23 Å2 Rotatable Bonds 11 
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Boiling Point
310-335 °C(lit.) expand Show data source
Flash Point
113 °C expand Show data source
235.4 °F expand Show data source
Density
0.94 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.503(lit.) expand Show data source
Hydrophobicity(logP)
7.793 expand Show data source
RTECS
SL3675000 expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Nature polluting Nature polluting (N) expand Show data source
Irritant Irritant (Xi) expand Show data source
UN Number
3145 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
2 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
34-52/53 expand Show data source
R:36/37/38 expand Show data source
Safety Statements
26-36/37/39-45-61 expand Show data source
S:20-25-26-37/39 expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H314 expand Show data source
GHS Precautionary statements
P280-P305 + P351 + P338-P310 expand Show data source
Personal Protective Equipment
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 3145 8/PG 2 expand Show data source
Gene Information
rat ... Ar(24208) expand Show data source
Purity
95% expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
C12H25C6H4OH expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05204478 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 372102 external link
Packaging
1 L in poly bottle
Application
Modifier for the preparation of cycloaliphatic epoxy hybrids with amine curing agents1Catalyst for studies of thermal and thermomechanical behavior of novel cyanate ester homopolymers and copolymers2

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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