7-Methylheptadecane
Basic information
- CAS
20959-33-5- Standard SMILES
CCCCCCCCCCC(C)CCCCCC- InChIKey
AZGIFKCGYRMPKP-UHFFFAOYSA-N- Molecular formula
- C18H38
- Average molar mass
- 254.5 g/mol
- Monoisotopic mass
- 254.29735121
Overview
7-methylheptadecane has been reported in Oscillatoria amoena, Aphanizomenon, and other organisms with data available.
Names & identifiers
- Preferred name
- 7-Methylheptadecane
- IUPAC
- 7-methylheptadecane
- English name
- 7-Methylheptadecane
- Molecular formula
- C18H38
- Molecular weight
- 254.49
Names & synonyms
7-METHYLHEPTADECANEHeptadecane, 7-methyl-DTXSID50943251RefChem:106382DTXCID201371624801-706-9AZGIFKCGYRMPKP-UHFFFAOYSA-N20959-33-57-methyl-heptadecaneheptadecane, 7-methylSCHEMBL100273SCHEMBL2784085
Show more names
SCHEMBL3366483SCHEMBL4020567SCHEMBL5985092SCHEMBL9656413SCHEMBL25185241SCHEMBL27662892SCHEMBL27791022LMFA11000511
Database identifiers
- CAS
20959-33-5- PubChem CID
- 30398
- DTXSID
DTXSID50943251- EC Number
- 801-706-9
- Nikkaji
- J103.571A
Properties
Computed structural properties
- XLogP
- 9.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 14
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 139
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Aliphatics, Saturated (>C11)
LipidsFatty Acyls [FA] -> Hydrocarbons [FA11]
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Boiling point
- 308.7 · 308.7±9.0 °C(Predicted)
- Density
- 0.78 · 0.780±0.06 g/cm3(Predicted)
- LogP
- 10.14 · 10.140 (est)
- Symbol(GHS)
- 8 · GHS08
- Signal word
- Danger
- Hazard statements
- 304 · H304
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
Danger
H304 (100%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]
P301+P316, P331, 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 CategoriesAsp. Tox. 1 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS08
- Hazard statements
- H304
Suppliers
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Related reactions
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Compound notes
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