Home > Compound List > Compound details
638-08-4 molecular structure
click picture or here to close

octadecanoyl octadecanoate

ChemBase ID: 111315
Molecular Formular: C36H70O3
Molecular Mass: 550.9392
Monoisotopic Mass: 550.5324961
SMILES and InChIs

SMILES:
CCCCCCCCCCCCCCCCCC(=O)OC(=O)CCCCCCCCCCCCCCCCC
Canonical SMILES:
CCCCCCCCCCCCCCCCCC(=O)OC(=O)CCCCCCCCCCCCCCCCC
InChI:
InChI=1S/C36H70O3/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/h3-34H2,1-2H3
InChIKey:
WVJVHUWVQNLPCR-UHFFFAOYSA-N

Cite this record

CBID:111315 http://www.chembase.cn/molecule-111315.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
octadecanoyl octadecanoate
IUPAC Traditional name
octadecanoic acid, anhydride
Synonyms
STEARIC ANHYDRIDE
Stearic anhydride
Octadecanoic anhydride
十八酸酐
硬脂酸酐
CAS Number
638-08-4
EC Number
211-318-6
MDL Number
MFCD00009004
Beilstein Number
445979
PubChem SID
24899636
24888431
162097074
PubChem CID
69485

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 69485 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 14.425612  LogD (pH = 7.4) 14.425612 
Log P 14.425612  Molar Refractivity 169.3658 cm3
Polarizability 67.92365 Å3 Polar Surface Area 43.37 Å2
Rotatable Bonds 34  Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
70-72 °C expand Show data source
70-72 °C(lit.) expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Storage Temperature
-20°C expand Show data source
Purity
≥97.0% (GC) expand Show data source
98% expand Show data source
Grade
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
[CH3(CH2)16CO]2O expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05218602 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - S5128 external link
包装
50, 100 g in poly bottle

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle