Theaspirane
ALDRICH/W377406 - mixture of cis and trans, ≥85%
Synonym: (±)-Theaspirane; 2,6,10,10-
CAS Number: 36431-72-8
Empirical Formula (Hill Notation): C13H22O
Molecular Weight: 194.31
EC Number: 253-031-9
MDL Number: MFCD00085214
Linear Formula: C13H22O
Product Type: Chemical
| application(s) | flavors and fragrances |
| assay | ≥85% |
| biological source | synthetic |
| bp | 68-72 °C/3 mmHg (lit.) |
| density | 0.931 g/mL at 25 °C (lit.) |
| documentation | see Safety & Documentation for available documents |
| food allergen | no known allergens |
| grade | Halal |
| Kosher | |
| InChI | 1S/C13H22O/c1-10-6-5-8-12 |
| InChI key | GYUZHTWCNKINPY-UHFFFAOYSA |
| organoleptic | green; cooling; woody; herbaceous; camphoraceous |
| Quality Level | 300 ![]() |
400 ![]() |
|
| refractive index | n |
| reg. compliance | EU Regulation 178/2002 |
| SMILES string | CC1CCC2(O1)C(C)=CCCC2(C)C |
| Application: |
|
| Biochem/physiol Actions: | Odor at 1.0% |
| Biochem/physiol Actions: | Taste at 10 ppm |
| Disclaimer: | For R&D or non-EU Food use. Not for retail sale. |
| Other Notes: | Natural occurrence: Black chokeberry, grape, white wine, raspberry, passion fruit juice and cherimoya. |
| Packaging: | 1 kg in aluminum bottle |
| Packaging: | 100 g in poly bottle |
| WGK Germany | WGK 2 |
| Flash Point(F) | 149.0 °F - closed cup |
| Flash Point(C) | 65 °C - closed cup |
| Purity | ≥85% |
| bp | 68-72 °C/3 mmHg (lit.) |
| Density | 0.931 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| FEMA Number | 3774 |
| UNSPSC | 12164502 |

