2-Methyl-1-octene
Basic information
- CAS
4588-18-5- Standard SMILES
C=C(C)CCCCCC- InChIKey
FBEDQPGLIKZGIN-UHFFFAOYSA-N- Molecular formula
- C9H18
- Average molar mass
- 126.24 g/mol
- Monoisotopic mass
- 126.14085057
Names & identifiers
- Preferred name
- 2-Methyl-1-octene
- IUPAC
- 2-methyloct-1-ene
- English name
- 2-Methyl-1-octene
- Molecular formula
- C9H18
- Molecular weight
- 126.24
Names & synonyms
2-Methyl-1-octene4588-18-52-Methyloct-1-ene1-Octene, 2-methyl-UNII-1Y8T4813JZ1Y8T4813JZNSC-77448DTXSID60196635NSC 77448RefChem:88006DTXCID00119126678-600-2
Show more names
methyloctene,98%2-METHYL-1-OCTENE 98+%2-Methyl-1-octene in methanol
FBEDQPGLIKZGIN-UHFFFAOYSA-NInChI=1/C9H18/c1-4-5-6-7-8-9(2)3/h2,4-8H2,1,3HMFCD00048902NSC77448Methyloctene, 98%2-methyl-oct-1-eneSCHEMBL109263SCHEMBL2120700
Database identifiers
- CAS
4588-18-5- PubChem CID
- 78335
- DTXSID
DTXSID60196635- UNII
- 1Y8T4813JZ
- EC Number
- 678-600-2
- Nikkaji
- J100.549I
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 5
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 72.1
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- -77.68 °C · -77.68°C
- Boiling point
- 144 °C · 144 °C
- Density
- 0 · 0,74 g/cm3
- refractive index
- 1.4162 · 1.4162
- Flash point
- 32 °C · 32°C
- form
- oil
- color
- Clear, colourless
- Henry's Law Constant
- 6.2 · 6.2×10-6 mol/(m3Pa) at 25℃, Yaws (2003)
- FDA UNII
- 1 Y8T4813JZ · 1Y8T4813JZ
- Symbol(GHS)
- 2 · GHS02
- Signal word
- Warning
- Hazard statements
- 226 · H226
- Precautionary statements
- 280 · P280-P210
- Hazard Codes
- F
- Risk Statements
- 10 · 10
- Safety Statements
- 16 · 16
- RIDADR
- 1993 · 1993
- HS Code
- 2901290000 · 2901290000
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
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, 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 CategoriesFlam. Liq. 3 (100%)
Safety data
- ridadr
- 1993
- hs_code
- 2901290000
- risk_code
- 10
- Signal word
- Warning
- Symbol(GHS)
- GHS02
- hazard_code
- F
- safety_code
- 16
- Hazard statements
- H226
- Precautionary statements
- P280-P210
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers
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Related reactions
0 records
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Compound notes
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