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544-85-4 molecular structure
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dotriacontane

ChemBase ID: 90928
Molecular Formular: C32H66
Molecular Mass: 450.86644
Monoisotopic Mass: 450.51645211
SMILES and InChIs

SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
Canonical SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
InChI:
InChI=1S/C32H66/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3
InChIKey:
QHMGJGNTMQDRQA-UHFFFAOYSA-N

Cite this record

CBID:90928 http://www.chembase.cn/molecule-90928.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dotriacontane
IUPAC Traditional name
dotriacontane
Synonyms
Bicetyl
Dotriacontane
Dotriacontane
DICETYL
正三十二烷
CAS Number
544-85-4
EC Number
208-881-5
MDL Number
MFCD00009411
Beilstein Number
1783260
PubChem SID
24867925
162077632
24867902
24893665
24867951
24867887
PubChem CID
11008

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Polar Surface Area 0.0 Å2 Rotatable Bonds 29 
Lipinski's Rule of Five false  H Acceptors
H Donor LogD (pH = 5.5) 14.689923 
LogD (pH = 7.4) 14.689923  Log P 14.689923 
Molar Refractivity 149.0342 cm3 Polarizability 59.850937 Å3

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
65-70 °C expand Show data source
65-70 °C(lit.) expand Show data source
65-70°C expand Show data source
68°C expand Show data source
68-71°C expand Show data source
69-71 °C expand Show data source
Boiling Point
300-310°C expand Show data source
467 °C(lit.) expand Show data source
467°C expand Show data source
467°C/760mm expand Show data source
Flash Point
247°C expand Show data source
Density
0.812 expand Show data source
Vapor Pressure
<1 mmHg ( 20 °C) expand Show data source
Vapor Density
15.6 (vs air) expand Show data source
Storage Warning
Irritant expand Show data source
RTECS
JT2360000 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
3 expand Show data source
TSCA Listed
expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
≥95% (GC) expand Show data source
≥96.0% (GC) expand Show data source
≥97% (GC) expand Show data source
≥98.0% (GC) expand Show data source
97% expand Show data source
98% expand Show data source
Grade
analytical standard expand Show data source
purum expand Show data source
technical expand Show data source
Certificate of Analysis
Download expand Show data source
Packaging
ampule of 1000 mg expand Show data source
Shelf Life
(limited shelf life, expiry date on the label) expand Show data source
Linear Formula
CH3(CH2)30CH3 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05214129 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - D223107 external link
Packaging
25 g in poly bottle
5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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