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| IUPAC name : | 7,7-dimethylbicyclo[3.1.1]hept-3-ene-4-carbaldehyde |
| InChI : | InChI=1/C10H14O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h3,6,8-9H,4-5H2,1-2H3 |
| InChIKey : | KMRMUZKLFIEVAO-UHFFFAOYAU |
| SMILES : | CC1(C2CC=C(C1C2)C=O)C |
| (EINECS) number : | 209-274-8 |
| cas number : | 564-94-3 |
| beilstein number : | 2961587 |
| fema number : | 3395 |
| coe number : | 10379 |
| jecfa number : | 980 |
| fl. number : | 05.106 |
| molar refractivity : | 45.86 ± 0.3 cm3 |
| parachor : | 356.4 ± 6.0 cm3 |
| index of refraction : | 1.561 ± 0.02 |
| surface tension : | 40.2 ± 3.0 dyne/cm |
| density : | 1.061 ± 0.06 g/cm3 |
| polarizability : | 18.18 ± 0.5 10-24cm3 |
| xlogp : | 2.80 |
| molecular weight : | 150.2175600 |
| formula : | C10 H14 O |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
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Suppliers :
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| Sigma-Aldrich-SAFC : | (1R)-(-)-Myrtenal
≥97%, Kosher |
organoleptics :
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| odor type : | spicy |
| odor strength : | medium |
odor description : at 100.00 %. | sweet cinnamon tonka spicy terpene camphor jam |
| substantivity : | 48 Hour(s) |
properties :
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| appearence : | colorless clear liquid |
| assay : | 97.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.98700 @ 25.00 °C.
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| refractive index : | 1.50390 @ 20.00 °C.
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| boiling point : | 220.00 to 221.00 °C. @ 760.00 mm Hg
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| boiling point : | 99.00 to 100.00 °C. @ 15.00 mm Hg
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| logp : | 2.98 |
safety :
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| Oral Toxicity(LD50) : |
Oral-Rat 2300.00 mg/kg
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| Dermal Toxicity(LD50) : |
Skin-Rabbit >5.00 gm/kg
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| flash point ( Deg. F. ) : | 174.00 °F. TCC ( 78.89 °C. )
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| recommendation for myrtenal usage levels up to : |
| | 2.0000 % in the fragrance concentrate.
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| recommendation for myrtenal usage levels up to : |
| | 30.0000 ppm in the flavor.
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safety references :
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| EPI System : | view |
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| | 7,7-dimethylbicyclo[3.1.1]hept-3-ene-4-carbaldehyde
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| (EINECS) number : | 209-274-8 |
| RTECS : | DT5180000 for 564-94-3 |
| chemidplus : | 000564943 |
| EPA Substance Registry Services : | 564-94-3 |
| NLM Chemical Carcinogenesis Research Information System : | 564-94-3 |
| NLM Developmental and Reproductive Toxicity : | 564-94-3 |
| NLM Env. Mutagen Info. Center : | 564-94-3 |
| NLM GENetic TOXicology : | 564-94-3 |
| dtp/nci : | 54384 |
references :
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| | 7,7-dimethylbicyclo[3.1.1]hept-3-ene-4-carbaldehyde
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| jecfa number : | 980 |
| fl. number : | 05.106 |
| pubchem : | 197382 |
| NIST Chemistry WebBook : | 298720437 |
other :
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