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111-03-5 molecular structure
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2,3-dihydroxypropyl (9Z)-octadec-9-enoate

ChemBase ID: 133359
Molecular Formular: C21H40O4
Molecular Mass: 356.5399
Monoisotopic Mass: 356.29265976
SMILES and InChIs

SMILES:
CCCCCCCC/C=C\CCCCCCCC(=O)OCC(CO)O
Canonical SMILES:
CCCCCCCC/C=C\CCCCCCCC(=O)OCC(CO)O
InChI:
InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9-
InChIKey:
RZRNAYUHWVFMIP-KTKRTIGZSA-N

Cite this record

CBID:133359 http://www.chembase.cn/molecule-133359.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,3-dihydroxypropyl (9Z)-octadec-9-enoate
IUPAC Traditional name
oleoyl glycerol
Synonyms
1-Oleoyl-rac-glycerol
(9Z)-9-Octadecenoic Acid 2,3-Dihydroxypropyl Ester
1-Mono(cis-9-octacenoyl)Glycerol
1-Monoolein
2,3-Dihydroxypropyl Oleate
Danisco MO 90
Glycerol 1-Oleate
Glycerol α-cis-9-Octadecenate
Glyceryl Monooleate
Rylo MG 19
rac-1-Monoolein
rac-1-Monooleoylglycerol
α-Monoolein
rac 1-Oleoyl Glycerol
2,3-Dihydroxypropyl oleate
1-(顺式-9-油酰基)-rac-甘油
rac-甘油 1-单油酸酯
DL-α-甘油单油酸酯
甘油单油酸酯
顺式-9-油酸甘油酯
1-油酰基-rac-甘油
CAS Number
111-03-5
EC Number
203-827-7
MDL Number
MFCD00042735
Beilstein Number
1728976
PubChem SID
162227636
24897178
PubChem CID
5283468

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 5283468 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.619246  H Acceptors
H Donor LogD (pH = 5.5) 5.6092553 
LogD (pH = 7.4) 5.6092553  Log P 5.609256 
Molar Refractivity 104.4261 cm3 Polarizability 41.16768 Å3
Polar Surface Area 66.76 Å2 Rotatable Bonds 19 
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Chloroform expand Show data source
Ethyl Acetate expand Show data source
Hexane expand Show data source
Apperance
White Waxy Solid expand Show data source
Melting Point
33-36°C expand Show data source
35 °C expand Show data source
Flash Point
154 °C expand Show data source
309.2 °F expand Show data source
Storage Condition
-20°C Freezer expand Show data source
Storage Warning
Hygroscopic expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
1 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Storage Temperature
-20°C expand Show data source
Purity
≥99% expand Show data source
95+% expand Show data source
Certificate of Analysis
Download expand Show data source
Description
non-ionic expand Show data source
Shipped in
wet ice expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - O527980 external link
Monoglycerides fatty acid esters are useful for improvement of texture and flavor of beverages. 93% 1-Oleoyl, 7% 2-oleoyl.

REFERENCES

REFERENCES

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  • • Lee, T.-H., et al.: J. Nat. Prod., 72, 1960 (2009)
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PATENTS

PATENTS

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INTERNET

INTERNET

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