1,2,3,6-tetrahydrobenzaldehyde
3-cyclohexene-1-carboxaldehyde
Identification
| Name | 1,2,3,6-tetrahydrobenzaldehyde |
| IUPAC | cyclohex-3-ene-1-carbaldehyde |
| CAS Number | 100-50-5 |
| EINECS | 202-858-3 |
| FDA UNII | GAK9539347 |
| Molecular Formula | C7 H10 O |
| Molecular Weight | 110.15590000 |
| MDL Number | MFCD00001572 |
| Nikkaji Number | J24.543G |
| Beilstein | 0774001 |
Regulatory
Physical Properties
| Appearance | colorless to pale yellow clear liquid (est) |
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.96800 to 0.97400 @ 20.00 °C. |
| Pounds per Gallon - (est). | 8.064 to 8.114 |
| Refractive Index | 1.47100 to 1.47300 @ 20.00 °C. |
| Melting Point | 2.00 °C. @ 760.00 mm Hg |
| Boiling Point | 105.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 30.100000 mmHg @ 25.00 °C. (est) |
| Flash Point | 135.00 °F. TCC ( 57.22 °C. ) |
| logP (o/w) | 1.590 (est) |
| Soluble in | water, 2649 mg/L @ 25 °C (est) |
No sensory data available
Safety Information
| Preferred SDS | View |
| Oral/Parenteral Toxicity | oral-rat LD50 2460 uL/kg |
| Dermal Toxicity | skin-rabbit LD50 1300 uL/kg |
| Inhalation Toxicity | inhalation-rat LC50 2000 ppm/4H |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | natural substances and extractives |
| Recommendation for 1,2,3,6-tetrahydrobenzaldehyde usage levels up to | not for fragrance use. |
| Recommendation for 1,2,3,6-tetrahydrobenzaldehyde flavor usage levels up to | not for flavor use. |
Jiangyin Healthway International Trade Co., Ltd
Independent Ingredients Supplier
We provide custom synthesis and contract manufacturing from milligrams to metric tonnes.
Potential Uses
Natural Occurrence
Synonyms
cyclohex-3-ene-1-carbaldehyde
3-
cyclohexene-1-carbaldehyde
3-
cyclohexene-1-carboxaldehyde
1,2,3,6-
tetrahyrobenzaldehyde
PubMed:
Application of Purpald® for determination of 3-cyclohexene-1-carboxaldehyde and hydroxyisohexyl 3-cyclohexene carboxaldehyde.
PubMed:
Thermophilic enzymes and their applications in biocatalysis: a robust aldo-keto reductase.
PubMed:
Total synthesis of the immunosuppressant FR901483 via an amidoacrolein cycloaddition.
PubMed:
Synthesis of affinity ligands and radioactive probes for isolation and study of myo-inositol 1,4,5-trisphosphate binding proteins.
PubMed:
Sensory irritation response to inhaled aldehydes after formaldehyde pretreatment.