2,4,4,6,6-Pentamethyl-1-heptene
Basic information
- CAS
14031-86-8- Standard SMILES
C=C(C)CC(C)(C)CC(C)(C)C- InChIKey
NSSBKMKRTGHAAN-UHFFFAOYSA-N- Molecular formula
- C12H24
- Average molar mass
- 168.32 g/mol
- Monoisotopic mass
- 168.18780077
Names & identifiers
- Preferred name
- 2,4,4,6,6-Pentamethyl-1-heptene
- IUPAC
- 2,4,4,6,6-pentamethylhept-1-ene
- English name
- 2,4,4,6,6-pentamethylhept-1-ene
- Molecular formula
- C12H24
- Molecular weight
- 168.32
Names & synonyms
2,4,4,6,6-pentamethyl-1-heptene14031-86-81-Heptene, 2,4,4,6,6-pentamethyl-2,4,4,6,6-Pentamethylheptene-1EINECS 237-869-2UNII-588OS7953P588OS7953PDTXSID5065697RefChem:81976DTXCID1034555237-869-22,4,4,6,6-Pentamethylhept-1-ene
Show more names
SCHEMBL10245192,4,4,6,6-pentamethyl-hept-1-eneNS00024547Q27261573
Database identifiers
- CAS
14031-86-8- PubChem CID
- 84164
- DTXSID
DTXSID5065697- UNII
- 588OS7953P
- EC Number
- 237-869-2
- Nikkaji
- J216.838C
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 155
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Boiling point
- 99.5 · 99.5-102 °C(Press: 45 Torr)
- Density
- 0.7903 g/cm3 · 0.7903 g/cm3
- FDA UNII
- 588 OS7953P · 588OS7953P
- EPA Substance Registry System
- 1 · 1-Heptene, 2,4,4,6,6-pentamethyl- (14031-86-8)
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H226
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- TSCA
- TSCA listed
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, P264, P264+P265, P280, P302+P352, P303+P361+P353, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 441 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- Hazard statements
- H315-H319-H226
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Heptene, 2,4,4,6,6-pentamethyl-: INACTIVE
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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