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24909-68-0 molecular structure
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octadeca-9,12-dienoyl octadeca-9,12-dienoate

ChemBase ID: 138291
Molecular Formular: C36H62O3
Molecular Mass: 542.87568
Monoisotopic Mass: 542.46989584
SMILES and InChIs

SMILES:
CCCCC/C=C/C/C=C/CCCCCCCC(=O)OC(=O)CCCCCCC/C=C/C/C=C/CCCCC
Canonical SMILES:
CCCCC/C=C/C/C=C/CCCCCCCC(=O)OC(=O)CCCCCCC/C=C/C/C=C/CCCCC
InChI:
InChI=1S/C36H62O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(37)39-36(38)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20H,3-10,15-16,21-34H2,1-2H3
InChIKey:
BDTYMGCNULYACO-UHFFFAOYSA-N

Cite this record

CBID:138291 http://www.chembase.cn/molecule-138291.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
octadeca-9,12-dienoyl octadeca-9,12-dienoate
IUPAC Traditional name
octadeca-9,12-dienoyl octadeca-9,12-dienoate
Synonyms
(cis,cis)-9,12-Octadecadienoic anhydride
Linoleic anhydride
(顺,顺)-9,12-十八碳二烯酸酐
亚油酸酐
CAS Number
24909-68-0
MDL Number
MFCD00010456
PubChem SID
162232548
PubChem CID
15594594

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
286494 external link Add to cart Please log in.
Data Source Data ID
PubChem 15594594 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 12.977925  LogD (pH = 7.4) 12.977925 
Log P 12.977925  Molar Refractivity 173.8322 cm3
Polarizability 66.982796 Å3 Polar Surface Area 43.37 Å2
Rotatable Bonds 30  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
-1 °C(lit.) expand Show data source
Flash Point
113 °C expand Show data source
235.4 °F expand Show data source
Density
0.901 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.476(lit.) expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
3265 expand Show data source
MSDS Link
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
Risk Statements
34 expand Show data source
Safety Statements
26-27-36/37/39-45 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 3265 8/PG 2 expand Show data source
Purity
97% expand Show data source
Empirical Formula (Hill Notation)
C36H62O3 expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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