1-methyl-1,3-cyclohexadiene
1,3-cyclohexadiene, 1-methyl-
Identification
| Name | 1-methyl-1,3-cyclohexadiene |
| IUPAC | 1-methylcyclohexa-1,3-diene |
| CAS Number | 1489-56-1 |
| EINECS | 216-071-8 |
| FDA UNII | NZ9H475GT1 |
| Molecular Formula | C7 H10 |
| Molecular Weight | 94.15670000 |
| Nikkaji Number | J206.693I |
Regulatory
| JECFA Food Flavoring | 1344 1-methyl-1,3-cyclohexadiene |
| DG SANTE Food Flavourings | 01.077 1-methyl-1,3-cyclohexadiene |
Physical Properties
| Appearance | colorless clear liquid (est) |
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.84600 to 0.85300 @ 25.00 °C. |
| Pounds per Gallon - (est). | 7.040 to 7.098 |
| Refractive Index | 1.44600 to 1.45200 @ 20.00 °C. |
| Boiling Point | 118.00 to 120.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 22.283001 mmHg @ 25.00 °C. (est) |
| Flash Point | 39.00 °F. TCC ( 3.89 °C. ) |
| logP (o/w) | 3.009 (est) |
| Soluble in | water, 54.36 mg/L @ 25 °C (est) |
No sensory data available
Safety Information
| Oral/Parenteral Toxicity | oral-rat LD50 [sex: M,F] > 2000 mg/kg |
| Dermal Toxicity | Not determined |
| Inhalation Toxicity | Not determined |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | flavoring agents |
| Recommendation for 1-methyl-1,3-cyclohexadiene usage levels up to | not for fragrance use. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.012 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 313.00 (μg/capita/day) |
| Threshold of Concern | 1800 (μg/person/day) |
| Structure Class | I |
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Potential Uses
Natural Occurrence
Synonyms
1,3-
cyclohexadiene, 1-methyl-
2,3-
dihydrotoluene
5,6-
dihydrotoluene
1-
methylcyclohexa-1,3-diene
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