Methyl octadec-9-ynoate
Basic information
- CAS
1120-32-7- Standard SMILES
CCCCCCCCC#CCCCCCCCC(=O)OC- InChIKey
VGXHOYHYUMFLPG-UHFFFAOYSA-N- Molecular formula
- C19H34O2
- Average molar mass
- 294.5 g/mol
- Monoisotopic mass
- 294.25588032
Names & identifiers
- Preferred name
- Methyl octadec-9-ynoate
- IUPAC
- methyl octadec-9-ynoate
- English name
- 9-Octadecynoic acid methyl ester
- Molecular formula
- C19H34O2
- Molecular weight
- 294.47
Names & synonyms
methyl octadec-9-ynoate1120-32-79-Octadecynoic acid methyl esterMethyl 9-octadecynoateMethyl stearolate9-Octadecynoic acid, methyl estermethyloctadec-9-ynoateMethyl 9-octadecynoate #orb3177941SCHEMBL3966280DTXSID70336560octadec-9-ynoic acid methyl ester
Show more names
Stearolic acid methyl esterMethyl 9-octadecynoate, 90+%
VGXHOYHYUMFLPG-UHFFFAOYSA-NMFCD09953468DA-15451
Database identifiers
- CAS
1120-32-7- PubChem CID
- 534587
- DTXSID
DTXSID70336560- EC Number
- 681-309-3
- Nikkaji
- J110.790I
Properties
Computed structural properties
- XLogP
- 7.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 14
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 295
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Boiling point
- 371 °C · 371 °C
- Density
- 0.895 · 0.895
- Flash point
- 156 °C · 156 °C
- CAS DataBase Reference
- 1120 · 1120-32-7
- NIST Chemistry Reference
- 9 · 9-Octadecynoic acid, methyl ester(1120-32-7)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Suppliers
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Related reactions
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Compound notes
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