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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | 4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene |
| InChI : | InChI=1/C15H24/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h7,12-13H,1,5-6,8-10H2,2-4H3 |
| InChIKey : | QEBNYNLSCGVZOH-UHFFFAOYAO |
| SMILES : | CC1CCC=C2C1(CC(CC2)C(=C)C)C |
| (EINECS) number : | 225-047-6 |
| cas number : | 4630-07-3 |
| fema number : | 3443 |
| coe number : | 11030 |
| jecfa number : | 1337 |
| fl. number : | 01.017 |
| molar refractivity : | 66.59 ± 0.4 cm3 |
| parachor : | 533.3 ± 6.0 cm3 |
| index of refraction : | 1.494 ± 0.03 |
| surface tension : | 29.7 ± 5.0 dyne/cm |
| density : | 0.89 ± 0.1 g/cm3 |
| polarizability : | 26.40 ± 0.5 10-24cm3 |
| xlogp : | 4.20 |
| molecular weight : | 204.3510600 |
| formula : | C15 H24 |
| BioActivity Analysis : | 430715 |
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| IUPAC name : | (3R,4aR,5R)-4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene |
| InChI : | InChI=1/C15H24/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h7,12-13H,1,5-6,8-10H2,2-4H3/t12-,13-,15-/m1/s1 |
| InChIKey : | QEBNYNLSCGVZOH-UMVBOHGHBV |
| SMILES : | C[C@@H]1CCC=C2[C@@]1(C[C@@H](CC2)C(=C)C)C |
| cas number : | 4630-07-3 |
| molar refractivity : | 66.59 ± 0.4 cm3 |
| parachor : | 533.3 ± 6.0 cm3 |
| index of refraction : | 1.494 ± 0.03 |
| surface tension : | 29.7 ± 5.0 dyne/cm |
| density : | 0.89 ± 0.1 g/cm3 |
| polarizability : | 26.40 ± 0.5 10-24cm3 |
| xlogp : | 4.20 |
| molecular weight : | 204.3510600 |
| formula : | C15 H24 |
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| IUPAC name : | (2R)-8,8,8a-trimethyl-2-prop-1-en-2-yl-1,2,3,4,6,7-hexahydronaphthalene |
| InChI : | InChI=1/C16H26/c1-12(2)13-8-9-14-7-6-10-15(3,4)16(14,5)11-13/h7,13H,1,6,8-11H2,2-5H3/t13-,16u/m1/s1 |
| InChIKey : | WCTNXGFHEZQHDR-JBZHPUCOBU |
| SMILES : | CC(=C)[C@@H]1CCC2=CCCC(C2(C1)C)(C)C |
| cas number : | 4630-07-3 |
| molar refractivity : | 71.25 ± 0.4 cm3 |
| parachor : | 571.7 ± 6.0 cm3 |
| index of refraction : | 1.494 ± 0.03 |
| surface tension : | 29.8 ± 5.0 dyne/cm |
| density : | 0.89 ± 0.1 g/cm3 |
| polarizability : | 28.24 ± 0.5 10-24cm3 |
| xlogp : | 4.20 |
| molecular weight : | 204.3510600 |
| formula : | C15 H24 |
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| fda reg : | unspecified |
h. number : | 2902.19.90.90 |
| organoleptics : | |
| odor type : | citrus |
| odor strength : | medium ,
recommend smelling in a 10.00 % solution or less |
odor description :
at 10.00 % in dipropylene glycol. | sweet fresh citrus grapefruit woody orange asprin dry green oily |
| substantivity : | 400 Hour(s) |
| properties : | |
| appearence : | pale yellow to yellow clear liquid |
| assay : | 65.00 - 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.91300 - 0.91900 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.597 to 7.647
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| refractive index : | 1.50300 - 1.50300 @ 20.00 °C.
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| boiling point : | 123.00 °C. @ 11.00 mm Hg
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| boiling point : | 274.00 °C. @ 760.00 mm Hg
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| logp : | 6.29 |
| safety : | |
| Oral Toxicity(LD50) : |
Oral-Rat >5.00 gm/kg
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| Dermal Toxicity(LD50) : |
Skin-Rabbit >5.00 gm/kg
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| flash point ( Deg. F. ) : | > 230.00 °F. TCC ( > 110.00 °C. )
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| recommendation for valencene usage levels up to : |
| | 1.0000 % in the fragrance concentrate.
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| recommendation for valencene usage levels up to : |
| | 1.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 225-047-6 |
| chemidplus : | 4630-07-3 |
| epa-srs : | 4630-07-3 |
| dtp/nci : | 148969 |
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| chemidplus : | 4630-07-3 |
| epa-srs : | 4630-07-3 |
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| chemidplus : | 4630-07-3 |
| epa-srs : | 4630-07-3 |
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| other : | |
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| references : | |
| pubchem : | 10523450 |
| NIST Chemistry WebBook : | 4218447081 |
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| pubchem : | 42214795 |
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| pubchem : | 39344738 |
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