Basic information
- CAS
68992-08-5- Standard SMILES
COC(C)(CCC=C(C)C)OC- InChIKey
GCBQWUQBDZJZLB-UHFFFAOYSA-N- Molecular formula
- C10H20O2
- Average molar mass
- 172.26 g/mol
- Monoisotopic mass
- 172.14632988
Names & identifiers
- Preferred name
- 6,6-Dimethoxy-2-methylhept-2-ene
- IUPAC
- 6,6-dimethoxy-2-methylhept-2-ene
- English name
- 6,6-dimethoxy-2-methylhept-2-ene
- Molecular formula
- C10H20O2
- Molecular weight
- 172.26
Names & synonyms
6,6-Dimethoxy-2-methylhept-2-ene2-Heptene, 6,6-dimethoxy-2-methyl-68992-08-5EINECS 273-670-79KJL0GO54A2-Methyl-6,6-dimethoxyhept-2-eneDTXSID6071952RefChem:538521DTXCID4046440273-670-7UNII-9KJL0GO54AGCBQWUQBDZJZLB-UHFFFAOYSA-N
Show more names
6,6-Dimethoxy-2-methyl-2-heptene
NS00036795
Database identifiers
- CAS
68992-08-5- PubChem CID
- 112229
- DTXSID
DTXSID6071952- UNII
- 9KJL0GO54A
- EC Number
- 273-670-7
- Nikkaji
- J332.784A
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 142
Physicochemical properties
- Boiling point
- 74 · 74-76 °C(Press: 9 Torr)
- Density
- 0.8884 g/cm3 · 0.8884 g/cm3
- FDA UNII
- 9 KJL0GO54A · 9KJL0GO54A
- EPA Substance Registry System
- 2 · 2-Heptene, 6,6-dimethoxy-2-methyl- (68992-08-5)
- 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.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Heptene, 6,6-dimethoxy-2-methyl-: INACTIVE
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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