Basic information
- CAS
55682-88-7- Standard SMILES
CCC=CCC=CCC=CCCCCCCCCCC(=O)OC- InChIKey
XQAVRBUXEPJVRC-UHFFFAOYSA-N- Molecular formula
- C21H36O2
- Average molar mass
- 320.5 g/mol
- Monoisotopic mass
- 320.27153039
Overview
11,14,17-Eicosatrienoic acid-methyl ester has been reported in Nicotiana tabacum with data available.
Names & identifiers
- Preferred name
- cis-11,14,17-Eicosatrienoic acid methyl ester
- IUPAC
- methyl icosa-11,14,17-trienoate
- English name
- cis-11,14,17-Eicosatrienoic acid methyl ester
- Molecular formula
- C21H36O2
- Molecular weight
- 320.51
Names & synonyms
cis-11,14,17-Eicosatrienoic acid methyl esterorb1679980orb3025767SCHEMBL9724645DTXSID601376814Methyl eicosatrienoate (11c,14c,17c)PD045215DB-05277211,14,17-Eicosatrienoic acid-methyl ester11,14,17-Eicosatrienoic acid, methyl esterEthyl Acetate Impurity 110methyl 11,14,17-eicosatrienoate
Show more names
Methyl cis-11,14,17-eicosatrienoateCIS-11,14,17-EICOSATRIENOIC ACID MET11,14,17-Icosatrienoic acid methyl esterMethyl cis-11,14,17-Eicosatrienoate(C20:3)Methyl (11E,14E,17E)-11,14,17-icosatrienoateC20:3 11-14-17 Eicosatrienoic Acid Methyl Ester
Database identifiers
- CAS
55682-88-7- PubChem CID
- 41516
- DTXSID
DTXSID601376814
Properties
Computed structural properties
- XLogP
- 7.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 16
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 340
Physicochemical properties
- Boiling point
- 398.6 · 398.6±11.0 °C(Predicted)
- Density
- 0.891 · 0.891±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- form
- liquid
- biological source
- synthetic (organic)
- InChI
- 1S/C21H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h4-5,7-8,10-11H,3,6,9,12-20H2,1-2H3/b5-4+,8-7+,11-10+
- InChIKey
- XQAVRBUXEPJVRC-JSIPCRQOSA-N
- SMILES
- CC\C=C\C\C=C\C\C=C\CCCCCCCCCC(=O)OC
- UNSPSC Code
- 12352211 · 12352211
- NACRES
- 25 · NA.25
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- PPE
- Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
- wgk
- 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Usescis-11,14,17-Eicosatrienoic Acid Methyl Ester is a fatty acid methyl ester (FAME) obtained from microalgal biomass that can exhibit anti-bacterial and anti-candidal activity.
Suppliers34 total
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
上海纽雀客生物科技有限公司13916276291 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Aladdin Scientific[email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
武汉市皇臻生物化工有限公司13795480948 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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