Basic information
- CAS
1564-98-3- Standard SMILES
CC(CCO)CCC1OC1(C)C- InChIKey
KCNJNSNPPWXJGM-UHFFFAOYSA-N- Molecular formula
- C10H20O2
- Average molar mass
- 172.26 g/mol
- Monoisotopic mass
- 172.14632988
Overview
citronellol epoxide has been reported in Foeniculum vulgare with data available.
Names & identifiers
- Preferred name
- 2-Oxiranepentanol, gamma,3,3-trimethyl-
- IUPAC
- 5-(3,3-dimethyloxiran-2-yl)-3-methylpentan-1-ol
- English name
- 5-(3,3-Dimethyloxiranyl)-3-methyl-1-pentanol
- Molecular formula
- C10H20O2
- Molecular weight
- 172.26
Names & synonyms
Citronellol epoxide1564-98-35-(3,3-dimethyloxiran-2-yl)-3-methylpentan-1-ol3,7-Dimethyl-6,7-epoxyoctan-1-olNSC 140635Oxiranepentanol, gamma,3,3-trimethyl-1-Octanol, 6,7-epoxy-3,7-dimethyl-2-Oxiranepentanol, gamma,3,3-trimethyl-Oxiranepentanol, .gamma.,3,3-trimethyl-AI3-367442-Oxiranepentanol, .gamma.,3,3-trimethyl-DTXSID00883693
Show more names
2-Oxiranepentanol, γ,3,3-trimethyl-3-Methyl-5-(3,3-dimethyloxiranyl)pentane-1-ol
RefChem:477610DTXCID7010231975-(3,3-Dimethyloxiranyl)-3-methyl-1-pentanol3,7-Dimethyl-6,7-epoxy-1-octanol3,7-epoxyoctan-1-olCitronellol epoxide (R or S)SCHEMBL7977453Oxiranepentanol,3,3-trimethyl-
Database identifiers
- CAS
1564-98-3- PubChem CID
- 98467
- DTXSID
DTXSID00883693- Nikkaji
- J387.669A
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 143
Physicochemical properties
- EPA Substance Registry System
- 3 · Oxiranepentanol, .gamma.,3,3-trimethyl- (1564-98-3)
- 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.
Hazard information
Regulatory InformationChemical: Oxiranepentanol, .gamma.,3,3-trimethyl-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Oxiranepentanol, .gamma.,3,3-trimethyl-: INACTIVE
Related reactions
1 records
Compound notes
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