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| IUPAC name : | 3,7-dimethylocta-1,6-dien-3-yl 2-methylpropanoate |
| InChI : | InChI=1/C14H24O2/c1-7-14(6,10-8-9-11(2)3)16-13(15)12(4)5/h7,9,12H,1,8,10H2,2-6H3 |
| InChIKey : | JZIARAQCPRDGAC-UHFFFAOYAD |
| SMILES : | CC(C)C(=O)OC(C)(CCC=C(C)C)C=C |
| (EINECS) number : | 201-108-2 |
| cas number : | 78-35-3 |
| beilstein number : | 1726378 |
| fema number : | 2640 |
| coe number : | 298 |
| jecfa number : | 362 |
| fl. number : | 09.423 |
| molar refractivity : | 68.23 ± 0.3 cm3 |
| parachor : | 578.7 ± 4.0 cm3 |
| index of refraction : | 1.453 ± 0.02 |
| surface tension : | 27.7 ± 3.0 dyne/cm |
| density : | 0.890 ± 0.06 g/cm3 |
| polarizability : | 27.05 ± 0.5 10-24cm3 |
| xlogp : | 3.80 |
| molecular weight : | 224.3391600 |
| formula : | C14 H24 O2 |
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| fda reg : | 172.515 |
h. number : | 2915.60.0000 |
| organoleptics : | |
| odor type : | fruity |
| odor strength : | medium |
odor description :
at 100.00 %. | light fruity lavender woody bergamot |
| taste description³ : | at 20.00 ppm.
Floral, fruity, sweet, berry, citrus |
| substantivity : | 8 Hour(s) |
| properties : | |
| appearence : | colorless to pale yellow clear liquid |
| assay : | 98.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.88800 - 0.89800 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.389 to 7.472
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| refractive index : | 1.44900 - 1.45300 @ 20.00 °C.
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| boiling point : | 228.00 - 230.00 °C. @ 760.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| logp : | 4.71 |
| safety : | |
| most important hazard(s) : |
Xi - Irritant |
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| Oral Toxicity(LD50) : |
Oral-Rat >36300.00 mg/kg
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| Dermal Toxicity(LD50) : |
Skin-Rabbit >5.00 gm/kg
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| flash point ( Deg. F. ) : | 161.00 °F. TCC ( 71.67 °C. )
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| recommendation for linalyl isobutyrate usage levels up to : | | | 8.0000 % in the fragrance concentrate.
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| recommendation for linalyl isobutyrate usage levels up to : | | | 20.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 201-108-2 |
| chemidplus : | 000078353 |
| epa-srs : | 78-35-3 |
| dtp/nci : | 46145 |
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| other : | |
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| references : | |
| pubchem : | 149494 |
| NIST Chemistry WebBook : | 1547923476 |
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| reference : | Mosciano, Gerard P&F 19, No. 2, 55, (1994)³ |
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| synonyms : |
| iso | butyric acid 1,5-dimethyl-1-vinyl-4-hexen-1-yl ester | | iso | butyric acid linalyl ester | | 1,5- | dimethyl-1-vinyl hex-4-enyl 2-methyl propanoate | | 1,5- | dimethyl-1-vinyl hex-4-enyl isobutyrate | | 1,5- | dimethyl-1-vinyl-4-hexen-1-yl isobutyrate | | 3,7- | dimethyl-1,6-octadien-3-yl 2-methyl propanoate | | 3,7- | dimethyl-1,6-octadien-3-yl isobutanoate | | 3,7- | dimethyl-1,6-octadien-3-yl isobutyrate | | 3,7- | dimethyl-1,6-octadienyl isobutyrate | | 1- | ethenyl-1,5-dimethyl-4-hexen-1-yl 2-methyl propanoate | | | linalool 2-methyl propanoate | | | linalool isobutyrate | | | linalyl 2-methyl propanoate | | | linalyl isobutyrate | | 2- | methyl propanoic acid 1-ethenyl-1,5-dimethyl-4-hexen-1-yl ester |
| soluble in : |
| | alcohol | | | water, 10 mg/L @ 20C |
| insoluble in : |
| | water |
| stability : |
| | detergent | | | shampoo | | | soap |
| (odor and/or flavor) used in : |
| | apple | | | bergamot | | | blueberry | | | cassie acacia farnesiana | | | cherry | | | cinnamon | | | cologne | | | currant black currant | | | fruit | | | grape | | | jasmin | | | lavender | | | lilac lilas syringa | | | mandarin | | | mimosa wattle | | | peach | | | plum | | | plum greengage plum | | | rose |
| natural occurrence in : |
| cinnamon oil ceylon |
| lavender oil |
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