2,7-Dimethyloctane
Basic information
- CAS
1072-16-8- Standard SMILES
CC(C)CCCCC(C)C- InChIKey
KEVMYFLMMDUPJE-UHFFFAOYSA-N- Molecular formula
- C10H22
- Average molar mass
- 142.28 g/mol
- Monoisotopic mass
- 142.1721507
Names & identifiers
- Preferred name
- 2,7-Dimethyloctane
- IUPAC
- 2,7-dimethyloctane
- English name
- 2,7-DIMETHYLOCTANE
- Molecular formula
- C10H22
- Molecular weight
- 142.28
Names & synonyms
2,7-DIMETHYLOCTANEOctane, 2,7-dimethyl-DiisoamylDiisopentylDTXSID90147933NSC 6232RefChem:83434DTXCID7070424680-703-2KEVMYFLMMDUPJE-UHFFFAOYSA-N1072-16-82,7-dimethyl-octane
Show more names
octane,2,7-dimethyl-2,7-DIMETHYLOCTANE 1072-16-82,7-Dimethyloctane in isooctane
27-DimethyloctaneMFCD00049100NSC-6232NSC6232Octane,7-dimethyl-SM9CF6UP25SCHEMBL108076SCHEMBL380860
Database identifiers
- CAS
1072-16-8- PubChem CID
- 14070
- DTXSID
DTXSID90147933- UNII
- SM9CF6UP25
- EC Number
- 680-703-2
- Nikkaji
- J95.544B
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 52.4
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- -55 ℃ · -55℃
- Boiling point
- 159 · 159-160°C
- Density
- 0.72 · 0.720
- refractive index
- 1.409 · 1.4090
- Henry's Law Constant
- 1.2 · 1.2×10-6 mol/(m3Pa) at 25℃, Yaws (2003)
- Dielectric constant
- 2 · 2.0(17℃)
- CAS DataBase Reference
- 1072 · 1072-16-8(CAS DataBase Reference)
- Symbol(GHS)
- 2 · GHS02,GHS07
- Hazard statements
- 226 · H226-H315-H319-H335
- Precautionary statements
- 210 · P210-P261-P303+P361+P353-P305+P351+P338-P405-P501a
- Risk Statements
- 10 · 10-36/37/38
- Safety Statements
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, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, 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
- ridadr
- 3295
- risk_code
- 10-36/37/38
- Symbol(GHS)
- GHS02,GHS07
- safety_code
- 16-26
- hazard_class
- 3
- packing_group
- III
- Hazard statements
- H226-H315-H319-H335
- Precautionary statements
- P210-P261-P303+P361+P353-P305+P351+P338-P405-P501a
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…