Methyl 10-undecynoate

HCID 554128CAS 2777-66-4

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Basic information

Standard SMILES: C#CCCCCCCCCC(=O)OC
InChIKey: TXFNJLOAXFOJGK-UHFFFAOYSA-N
Molecular formula: C12H20O2
Average molar mass: 196.29 g/mol
Monoisotopic mass: 196.14632988

Names & identifiers

Preferred name: Methyl 10-undecynoate
IUPAC: methyl undec-10-ynoate
English name: Methyl 10-undecynoate
Molecular formula: C12H20O2
Molecular weight: 196.29

Names & synonyms

Methyl 10-undecynoatemethyl undec-10-ynoate2777-66-410-Undecynoic acid, methyl ester10-Undecynoic acid,methyl ester10-Undecynoic acid methyl esterMFCD00190208SCHEMBL1246192SCHEMBL16288511DTXSID70339157undec-10-ynoic acid methyl esterAKOS037621509

Show more names

TIMTEC-BB SBB009130METHYL 10-UNDECYNOATE 98%10-decamonoyneacidmethyl esterMETHYL 10-UNDECYNOATE, 98%METHYL 10-UNDECYNOATE, 98%METHYL 10-UNDECYNOATE, 98%METHYL 10-UNDECYNOATE, 98%

AT21758AS-61163DB-047277NS00096330F812836

Database identifiers

CAS: 2777-66-4
PubChem CID: 554128
DTXSID: DTXSID70339157
EC Number: 675-794-0
Nikkaji: J110.899I

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 9
Heavy atoms: 14
Formal charge: 0
Complexity: 188

Experimental & physicochemical properties

SpringerMaterials PropertiesSurface tension

Physicochemical properties

Melting point: 42 °C · 42°C
Boiling point: 124 °C · 124°C 10mm
Density: 0 · 0,908 g/cm3
refractive index: 1.4464 · 1.4464
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H315-H319
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39

Safety & regulation

GHS classification

GHS Classification · 4 items

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 26-36/37/39
Hazard statements: H335-H315-H319
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

Chemistry & industry

Applications

UsesMethyl 10-Undecynoate is a chemical reagent which undergoes hydrosilylation catalyzed by ruthenium cationic acetonitrile cyclopentadienyl half-sandwich complexes to give α-substituted vinylsilanes.