6-Methyl-2-heptyne
Basic information
- CAS
51065-64-6- Standard SMILES
CC#CCCC(C)C- InChIKey
HIEALULIKYDRQN-UHFFFAOYSA-N- Molecular formula
- C8H14
- Average molar mass
- 110.2 g/mol
- Monoisotopic mass
- 110.10955045
Names & identifiers
- Preferred name
- 6-Methyl-2-heptyne
- IUPAC
- 6-methylhept-2-yne
- English name
- 6-Methyl-2-heptyne
- Molecular formula
- C8H14
- Molecular weight
- 110.2
Names & synonyms
6-Methyl-2-heptyne51065-64-6DTXSID40199068RefChem:1074058DTXCID701215596-methylhept-2-yne2-Heptyne, 6-methylMethyl isopentyl acetyleneSCHEMBL1132741SCHEMBL2120316SCHEMBL2122824SCHEMBL6402741
Show more names
Methylheptyne6-Methyl-hept-2-in6-Methyl-2-heptyne,98%ISOAMYLMETHYLACETYLENECH3CequivC(CH2)2CH(CH3)2Isopentylmethylacetylene1-Methyl-2-isoamylacetylene
SCHEMBL6405328SCHEMBL6406063HIEALULIKYDRQN-UHFFFAOYSA-HIEALULIKYDRQN-UHFFFAOYSA-NCH3C.equiv.C(CH2)2CH(CH3)2MFCD00041619AKOS025295402DB-242816
Database identifiers
- CAS
51065-64-6- PubChem CID
- 142809
- DTXSID
DTXSID40199068- EC Number
- 680-750-9
- Nikkaji
- J150.901B
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 97.7
Physicochemical properties
- Melting point
- -86.55 °C · -86.55°C (estimate)
- Boiling point
- 125 °C · 125 °C
- Density
- 0 · 0,76 g/cm3
- refractive index
- 1.425 · 1.4250
- CAS DataBase Reference
- 51065 · 51065-64-6(CAS DataBase Reference)
- Symbol(GHS)
- 2 · GHS02,GHS08
- Hazard statements
- 225 · H225-H304
- Precautionary statements
- 210 · P210-P280a-P301+P310a-P303+P361+P353-P405-P501a
- RIDADR
- 3295 · 3295
- HazardClass
- 3 · 3
- PackingGroup
- II
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
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P301+P316, P303+P361+P353, P331, P370+P378, 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
- Symbol(GHS)
- GHS02,GHS08
- hazard_class
- 3
- packing_group
- II
- Hazard statements
- H225-H304
- Precautionary statements
- P210-P280a-P301+P310a-P303+P361+P353-P405-P501a
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Related reactions
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Compound notes
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