(+)-delta-Cadinene - CAS 483-76-1
Catalog: |
BB044245 |
Product Name: |
(+)-delta-Cadinene |
CAS: |
483-76-1 |
Synonyms: |
(1S-cis)-4,7-dimethyl-1,2,3,5,6,8a-hexa-hydro-1-(1-methylethyl)-naphthalene; (1S-cis)-4,7-dimethyl-1,2,3,5,6,8-hexahydro-1-(1-methylethyl)naphthalene; 1-Isopropyl-4,7-dimethyl-1,2,3,5,6,8a-hexahydronaphthalene; Cadina-1(10),4-diene |
IUPAC Name: | (1S,8aR)-4,7-dimethyl-1-propan-2-yl-1,2,3,5,6,8a-hexahydronaphthalene |
Description: | (+)-delta-Cadinene is a useful research chemical. |
Molecular Weight: | 204.35 |
Molecular Formula: | C15H24 |
Canonical SMILES: | CC1=CC2C(CCC(=C2CC1)C)C(C)C |
InChI: | InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,13,15H,5-8H2,1-4H3/t13-,15-/m0/s1 |
InChI Key: | FUCYIEXQVQJBKY-ZFWWWQNUSA-N |
Boiling Point: | 279.7±15.0 °C at 760 mmHg |
Purity: | 50% |
Density: | 0.9±0.1 g/cm3 |
Solubility: | 0.04863 mg/L at 25 °C (est) |
LogP: | 6.271 (est) |
GHS Hazard Statement: | H304 (100%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P280, P301+P316, P302+P352, P321, P331, P332+P317, P362+P364, P405, and P501 |
Signal Word: | Danger |
Complexity: | 304 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 204.187800766 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 204.187800766 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 0 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
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