Basic information
- CAS
56752-50-2- Standard SMILES
C=CC1(C)CCC(OC(C)=O)C(C)(C)O1- InChIKey
IRWLDXUJBJPFNV-UHFFFAOYSA-N- Molecular formula
- C12H20O3
- Average molar mass
- 212.28 g/mol
- Monoisotopic mass
- 212.1412445
Overview
3-Acetoxy-2,2,6-trimethyl-6-vinyltetrahydropyran has been reported in Tanacetum vulgare with data available.
Names & identifiers
- Preferred name
- 2H-Pyran-3-ol, 6-ethenyltetrahydro-2,2,6-trimethyl-, 3-acetate
- IUPAC
- (6-ethenyl-2,2,6-trimethyloxan-3-yl) acetate
- English name
- tetrahydro-2,2,6-trimethyl-6-vinyl-2H-pyran-3-yl acetate
- Molecular formula
- C12H20O3
- Molecular weight
- 212.29
Names & synonyms
67674-42-4EINECS 266-881-02H-Pyran-3-ol, 6-ethenyltetrahydro-2,2,6-trimethyl-, 3-acetate2H-Pyran-3-ol, 6-ethenyltetrahydro-2,2,6-trimethyl-, acetateDTXSID908868552H-Pyran-3-ol, 6-ethenyltetrahydro-2,2,6-trimethyl-, acetate, trans-2H-Pyran-3-ol, 6-ethenyltetrahydro-2,2,6-trimethyl-, acetate, cis-RefChem:484399DTXCID90102617356752-50-22H-Pyran-3-ol, 6-ethenyltetrahydro-2,2,6-trimethyl-, acetate, (3R,6S)-rel-3-Acetoxy-2,2,6-trimethyl-6-vinyltetrahydropyran
Show more names
3-Acetoxytetrahydro-2,2,6-trimethyl-6-vinyl-2H-pyranAcetic acid (6-ethenyl-3,4,5,6-tetrahydro-2,2,6-trimethyl-2H-pyran)-3-yl ester
2H-Pyran-3-ol, 6-ethenyltetrahydro-2,2,6-trimethyl-, 3-acetate, (3R,6S)-rel-Linalool Impurity 16-ETHENYL-2,2,6-TRIMETHYLOXAN-3-YL ACETATESCHEMBL11034667Tetrahydro-2,2,6-trimethyl-6-vinyl-2H-pyran-3-yl acetateDB-310098DS-015946NS00056023
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 270
Physicochemical properties
- EPA Substance Registry System
- 2 H-Pyran-3-ol, · 2H-Pyran-3-ol, 6-ethenyltetrahydro-2,2,6-trimethyl-, acetate (67674-42-4)
- 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 Information
Chemical: 2H-Pyran-3-ol, 6-ethenyltetrahydro-2,2,6-trimethyl-, acetate, trans-
Chemical: 2H-Pyran-3-ol, 6-ethenyltetrahydro-2,2,6-trimethyl-, acetate, cis-
Other Safety Information
Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information
2H-Pyran-3-ol, 6-ethenyltetrahydro-2,2,6-trimethyl-, 3-acetate, (3R,6S)-rel-: INACTIVE
2H-Pyran-3-ol, 6-ethenyltetrahydro-2,2,6-trimethyl-, 3-acetate: INACTIVE
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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