6-Methyl citronellol
Basic information
- CAS
25905-16-2- Standard SMILES
CC(C)=C(C)CCC(C)CCO- InChIKey
GRAHDMHJZMMOHO-UHFFFAOYSA-N- Molecular formula
- C11H22O
- Average molar mass
- 170.29 g/mol
- Monoisotopic mass
- 170.16706532
Names & identifiers
- Preferred name
- 6-Methyl citronellol
- IUPAC
- 3,6,7-trimethyloct-6-en-1-ol
- English name
- 3,6,7-trimethyloct-6-en-1-ol
- Molecular formula
- C11H22O
- Molecular weight
- 170.29
Names & synonyms
6-Methyl citronellol6-Methylcitronellol6-Octen-1-ol, 3,6,7-trimethyl-25905-16-26501AS7W5M3,6,7-Trimethyl-6-octen-1-olEINECS 247-328-2DTXSID80885317RefChem:543756DTXCID9010247033,6,7-Trimethyloct-6-en-1-olUNII-6501AS7W5M
Show more names
SCHEMBL14844427NS00050381Q27263797
Database identifiers
- CAS
25905-16-2- PubChem CID
- 117285
- DTXSID
DTXSID80885317- UNII
- 6501AS7W5M
- EC Number
- 247-328-2
- Nikkaji
- J287.353B
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 143
Physicochemical properties
- LogP
- 3.658 · 3.658 (est)
- FDA UNII
- 6501 AS7W5M · 6501AS7W5M
- EPA Substance Registry System
- 6 · 6-Octen-1-ol, 3,6,7-trimethyl- (25905-16-2)
- TSCA
- TSCA listed
- HS Code
- 2905290000 · 2905290000
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
- hs_code
- 2905290000
Chemistry & industry
Uses & manufacturing
General Manufacturing Information6-Octen-1-ol, 3,6,7-trimethyl-: INACTIVE
Related reactions
1 records
Compound notes
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