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| IUPAC name : | [(Z)-hex-3-enyl] formate |
| InChI : | InChI=1/C7H12O2/c1-2-3-4-5-6-9-7-8/h3-4,7H,2,5-6H2,1H3/b4-3- |
| InChIKey : | XJHQVZQZUGLZLS-ARJAWSKDBA |
| SMILES : | CC\C=C/CCOC=O |
| (EINECS) number : | 251-532-7 |
| cas number : | 33467-73-1 |
| fema number : | 3353 |
| coe number : | 2153 |
| jecfa number : | 123 |
| fl. number : | 09.240 |
| molar refractivity : | 36.46 ± 0.3 cm3 |
| parachor : | 326.4 ± 4.0 cm3 |
| index of refraction : | 1.429 ± 0.02 |
| surface tension : | 28.4 ± 3.0 dyne/cm |
| density : | 0.906 ± 0.06 g/cm3 |
| polarizability : | 14.45 ± 0.5 10-24cm3 |
| xlogp : | 2.00 |
| molecular weight : | 128.1689800 |
| formula : | C7 H12 O2 |
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| fda reg : | unspecified |
h. number : | 2915.13.0000 |
| organoleptics : | |
| odor type : | green |
| odor strength : | high , recommend smelling in a 10.00 % solution or less |
odor description : at 10.00 % in dipropylene glycol. | fresh green waxy sweet vegetable grassy sharp |
| taste description³ : | at 20.00 ppm. Green, waxy, fresh vegetable, fruity, apple, guava, green banana |
| substantivity : | 4 Hour(s) |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 98.00 - 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.90800 - 0.91800 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.555 to 7.639
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| refractive index : | 1.42400 - 1.43100 @ 20.00 °C.
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| boiling point : | 72.00 °C. @ 40.00 mm Hg
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| boiling point : | 154.00 - 156.00 °C. @ 760.00 mm Hg
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| acid value : | 2.00 max. KOH/g
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| logp : | 2.10 |
| shelf life : | 24.00 month(s) or longer if stored properly. |
| storage : | store in cool, dry place in tightly sealed containers, protected from heat and light. |
| safety : | |
| most important hazard(s) : |
Xi - Irritant |
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| Oral Toxicity(LD50) : |
Oral-Rat >5.00 gm/kg FCTXAV 17,797,1979
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| Dermal Toxicity(LD50) : |
Skin-Rabbit >5.00 mg/kg FCTXAV 17,797,1979
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| Maximised Survey-derived Daily Intakes (MSDI) : | 43.00 (μg/capita/day) |
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| flash point ( Deg. F. ) : | 113.00 °F. TCC ( 45.00 °C. )
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| recommendation for (Z)-3-hexen-1-yl formate usage levels up to : |
| | 6.0000 % in the fragrance concentrate.
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| recommendation for (Z)-3-hexen-1-yl formate usage levels up to : |
| | 20.0000 ppm in the flavor.
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| safety links : | |
| msds : | msds |
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| (EINECS) number : | 251-532-7 |
| rtecs : | MP8550000 for 33467-73-1 |
| chemidplus : | 033467731 |
| epa-srs : | 33467-73-1 |
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| other : | |
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C of A
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| references : | |
| pubchem : | 177994 |
| NIST Chemistry WebBook : | 911574283 |
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| reference : | Mosciano, Gerard P&F 16, No. 5, 71, (1991)³ |