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1732-10-1 molecular structure
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1,9-dimethyl nonanedioate

ChemBase ID: 108099
Molecular Formular: C11H20O4
Molecular Mass: 216.2741
Monoisotopic Mass: 216.13615912
SMILES and InChIs

SMILES:
COC(=O)CCCCCCCC(=O)OC
Canonical SMILES:
COC(=O)CCCCCCCC(=O)OC
InChI:
InChI=1S/C11H20O4/c1-14-10(12)8-6-4-3-5-7-9-11(13)15-2/h3-9H2,1-2H3
InChIKey:
DRUKNYVQGHETPO-UHFFFAOYSA-N

Cite this record

CBID:108099 http://www.chembase.cn/molecule-108099.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,9-dimethyl nonanedioate
IUPAC Traditional name
1,9-dimethyl nonanedioate
Synonyms
Nonanedioic acid dimethyl ester
Dimethyl nonanedioate
Methyl azelate
Dimethyl azelate
mono-METHYL AZELATE
Dimethyl nonanedioate
二甲基壬二酸酯
壬二酸二甲基酯
壬二酸二甲酯
CAS Number
1732-10-1
EC Number
217-060-0
MDL Number
MFCD00025898
Beilstein Number
1710125
PubChem SID
162094321
24850342
PubChem CID
15612

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 15612 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.1161485  LogD (pH = 7.4) 2.1161485 
Log P 2.1161485  Molar Refractivity 56.0802 cm3
Polarizability 22.553574 Å3 Polar Surface Area 52.6 Å2
Rotatable Bonds 10  Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
18 °C expand Show data source
Boiling Point
156 °C/20 mmHg(lit.) expand Show data source
Flash Point
113 °C expand Show data source
235.4 °F expand Show data source
Density
1.007 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.435(lit.) expand Show data source
Vapor Pressure
<1 mmHg ( 20 °C) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
1 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US) expand Show data source
Purity
80% expand Show data source
95+% expand Show data source
Grade
technical grade expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
CH3OCO(CH2)7COOCH3 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05206079 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 171026 external link
Packaging
500 mL in poly bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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