Basic information
- CAS
72936-74-4- Standard SMILES
CC12OC1C[C@@H]1C[C@H]2C1(C)C- InChIKey
NQFUSWIGRKFAHK-KEMUHUQJSA-N- Molecular formula
- C10H16O
- Average molar mass
- 152.23 g/mol
- Monoisotopic mass
- 152.12011513
Overview
See other relationships...
Names & identifiers
- Preferred name
- 2,7,7(or 5,7,7)-Trimethyl-3-oxatricyclo(4.1.1.02,4)octane
- IUPAC
- (1S,6S)-2,7,7-trimethyl-3-oxatricyclo[4.1.1.02,4]octane
- English name
- alpha-Pinene oxide
- Molecular formula
- C10H16O
- Molecular weight
- 152.23
Names & synonyms
alpha-Pinene-oxide72936-74-4(1S,6S)-2,7,7-trimethyl-3-oxatricyclo[4.1.1.02,4]octaneDTXSID20331444(1S,6S)-2,7,7-trimethyl-3-oxatricyclo(4.1.1.02,4)octaneRefChem:1060358DTXCID702825382,7,7(or 5,7,7)-Trimethyl-3-oxatricyclo(4.1.1.02,4)octaneL-ALPHA-(-)-PINENEOXIDEMFCD09025587L-alpha-(-)-Pinene oxideSCHEMBL28150006
Show more names
AURORA KA-4782,3-EPOXYPINANEEPOXY ALPHA PINENEMolPort-002-507-162PINENE OXIDE, ALPHA-DL-ALPHA-PINENE OXIDEBicyclo[3.1.1]heptane,2,6,6-trimethyl-, monoepoxy deriv. (9CI)
(1S,6S)-2,7,7-trimethyl-3-oxatricyclo[4.1.1.0(2,4)]octaneAKOS005622634LMPR0102120007AS-17526NS00123843C02759(1S,6S)-2,7,7-trimethyl-3-oxatricyclo[4.1.1.0~2,4~]octane
Database identifiers
- CAS
72936-74-4
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 221
Experimental & physicochemical properties
LipidsLipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C10 isoprenoids (monoterpenes) [PR0102]
Physicochemical properties
- Boiling point
- 102 · 102-103 °C50 mm Hg(lit.)
- Density
- 0.964 g/mL · 0.964 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.469(lit.)
- Flash point
- 150 °F · 150 °F
- CAS DataBase Reference
- 72936 · 72936-74-4(CAS DataBase Reference)
- Hazard Codes
- Xi
- Risk Statements
- 41 · 41-37/38-10
- Safety Statements
- 37 · 37/39-26-16
- WGK Germany
- 3 · 3
- RTECS
- 4565000 · TK4565000
Safety & regulation
Safety data
- wgk
- 3
- rtecs
- TK4565000
- risk_code
- 41-37/38-10
- hazard_code
- Xi
- safety_code
- 37/39-26-16
Chemistry & industry
Suppliers4 total
湖北兴琰新材料科技有限公司13129948835 · [email protected]
上海湄水化工科技有限公司021-60549325 18616193163
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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