(3Z)-9-Methyl-3-undecene
Basic information
- CAS
74630-50-5- Standard SMILES
CCC=CCCCCC(C)CC- InChIKey
RTETXCZSLJTHLA-UHFFFAOYSA-N- Molecular formula
- C12H24
- Average molar mass
- 168.32 g/mol
- Monoisotopic mass
- 168.18780077
Overview
(3Z)-9-methyl-3-undecene has been reported in Glycyrrhiza glabra with data available.
Names & identifiers
- Preferred name
- (3Z)-9-Methyl-3-undecene
- IUPAC
- 9-methylundec-3-ene
- English name
- (3Z)-9-Methyl-3-undecene
- Molecular formula
- C12H24
- Molecular weight
- 168.32
Names & synonyms
(3Z)-9-Methyl-3-undecene74630-50-53-Undecene, 9-methyl-, (Z)-9-methylundec-3-eneSCHEMBL2002759SCHEMBL5985165DTXSID50338683(Z)-9-Methyl-3-undecene3-Undecene, 9-methyl-, (Z)- (9CI)
Database identifiers
- CAS
74630-50-5- PubChem CID
- 550666
- DTXSID
DTXSID50338683- EC Number
- 155-633-6
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 7
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 103
Physicochemical properties
- Boiling point
- 207.4 · 207.4±7.0 °C(Predicted)
- Density
- 0.762 · 0.762±0.06 g/cm3(Predicted)
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)
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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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