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| IUPAC name : | (1S,4aR,8aS)-4,7-dimethyl-1-propan-2-yl-1,2,4a,5,8,8a-hexahydronaphthalene |
| InChI : | InChI=1/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5-6,10,13-15H,7-9H2,1-4H3/t13-,14-,15-/m0/s1 |
| InChIKey : | USDOQCCMRDNVAH-KKUMJFAQBI |
| SMILES : | CC1=CC[C@@H]2[C@@H](C1)[C@@H](CC=C2C)C(C)C |
| cas number : | 523-47-7 |
| molar refractivity : | 66.64 ± 0.3 cm3 |
| parachor : | 531.4 ± 6.0 cm3 |
| index of refraction : | 1.483 ± 0.02 |
| surface tension : | 27.0 ± 3.0 dyne/cm |
| density : | 0.876 ± 0.06 g/cm3 |
| polarizability : | 26.42 ± 0.5 10-24cm3 |
| xlogp : | 4.20 |
| molecular weight : | 204.3510600 |
| formula : | C15 H24 |
| BioActivity Analysis : | 99598 |
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| fda reg : | unspecified |
h. number : | unspecified |
| organoleptics : | |
| odor strength : | medium |
odor description :
at 100.00 %. | green woody |
| properties : | |
| assay : | 95.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| boiling point : | 273.00 - 276.00 °C. @ 760.00 mm Hg
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| logp : | 6.64 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 224.00 °F. TCC ( 106.67 °C. )
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| recommendation for beta-cadinene usage levels up to : | | | 5.0000 % in the fragrance concentrate.
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| safety links : | |
| chemidplus : | 000523477 |
| epa-srs : | 523-47-7 |
| dtp/nci : | 46152 |
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| other : | |
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| references : | |
| pubchem : | 153957 |
| NIST Chemistry WebBook : | 2962281537 |
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| synonyms : |
| | cadine-3,9-diene | | (-)-beta- | cadinene | | beta- | cadinene | | (1S-(1alpha,4abeta,8aalpha))-1,2,4a,5,8,8a- | hexahydro-4,7-dimethyl-1-(1-methyl ethyl) naphthalene |
| soluble in : |
| | alcohol | | | water, 0.08 mg/L @ 18C |
| insoluble in : |
| | water |
| (odor and/or flavor) used in : |
| | amyris |
| natural occurrence in : |
| data page | bay leaf oil @ 0.00-<0.01% |
| data page | calamus root oil @ 1.57% |
| data page | cananga oil china @ 0.16% |
| dacrydium colensol |
| data page | lavender oil spike spain @ 0.01% |
| data page | wormwood flower oil annus america @ 0.37% |
| data page | wormwood leaf oil annus america @ 0.18-0.50% |
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