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Category:natural substances and extractives
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Physical Properties:
| Appearance: | colorless clear liquid (est) |
| Assay: | 95.00 to 100.00
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| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.89000 to 0.89300 @ 20.00 °C.
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| Pounds per Gallon - (est).: | 7.414 to 7.439
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| Refractive Index: | 1.52100 to 1.52500 @ 20.00 °C.
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| Boiling Point: | 116.00 to 118.00 °C. @ 760.00 mm Hg
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| Vapor Pressure: | 23.500000 mmHg @ 25.00 °C. |
| Flash Point: | 80.00 °F. TCC ( 26.67 °C. )
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| logP (o/w): | 2.630 |
| Soluble in: |
| | alcohol | | | water, 620 mg/L @ 25 °C (exp) |
| Insoluble in: |
| | water |
Organoleptic Properties:
| Odor and/or flavor descriptions from others (if found). |
Cosmetic Information:
Suppliers:
Safety Information:
| Preferred SDS: View |
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| Hazards identification |
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| Classification of the substance or mixture |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) |
| None found. |
| GHS Label elements, including precautionary statements |
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| Pictogram | |
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| Hazard statement(s) |
| None found. |
| Precautionary statement(s) |
| None found. |
| Oral/Parenteral Toxicity: |
oral-rat LD50 57 mg/kg
BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
VASCULAR: REGIONAL OR GENERAL ARTERIOLAR CONSTRICTION
BLOOD: HEMORRHAGE
Annals of Occupational Hygiene. Vol. 10, Pg. 123, 1967.
oral-mouse LD50 171 mg/kg
BLOOD: HEMORRHAGE
BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
VASCULAR: REGIONAL OR GENERAL ARTERIOLAR CONSTRICTION
Annals of Occupational Hygiene. Vol. 10, Pg. 123, 1967.
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| Dermal Toxicity: |
skin-rat LD50 442 mg/kg
Annals of Occupational Hygiene. Vol. 10, Pg. 123, 1967.
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| Inhalation Toxicity: |
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Not determined
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Safety in Use Information:
| Category: | | natural substances and extractives |
| Recommendation for 1,3,5-cycloheptatriene usage levels up to: | | | not for fragrance use.
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| Recommendation for 1,3,5-cycloheptatriene flavor usage levels up to: |
| | not for flavor use.
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Safety References:
References:
Other Information:
Potential Blenders and core components note
Potential Uses:
Occurrence (nature, food, other): note
Synonyms:
| 1H-[7] | annulene | | | cyclohepta-1,3,5-triene | | | cycloheptatriene [UN2603] [Flammable liquid] | | | tropiliden | | | tropilidene | | | tropilidine | | | tropyliden |
Articles:
| PubMed:Experimental verification of the homoaromaticity of 1,3,5-cycloheptatriene and evaluation of the aromaticity of tropone and the tropylium cation by use of the dimethyldihydropyrene probe. |
| PubMed:Protein tyrosine phosphatase 1B inhibitory activity of Indonesian herbal medicines and constituents of Cinnamomum burmannii and Zingiber aromaticum. |
| PubMed:Reversible and irreversible higher-order cycloaddition reactions of polyolefins with a multiple-bonded heavier group 13 alkene analogue: contrasting the behavior of systems with π-π, π-π*, and π-n+ frontier molecular orbital symmetry. |
| PubMed:Ab initio study of the pathways and barriers of tricyclo[4.1.0.0(2,7)]heptene isomerization. |
| PubMed:Ab initio calculation of resonance Raman cross sections based on excited state geometry optimization. |
| PubMed:Magnetically induced current densities in aromatic, antiaromatic, homoaromatic, and nonaromatic hydrocarbons. |
| PubMed:In vitro mechanism-based inactivation of cytochrome P450 3A4 by a new constituent of Cinnamomum burmani. |
| PubMed:Computational studies of the tropone natural products, thiotropocin, tropodithietic acid, and troposulfenin. Significance of thiocarbonyl-enol tautomerism. |
| PubMed:Direct estimate of conjugation and aromaticity in cyclic compounds with the EDA method. |
| PubMed:Isomerization pathways from the norbornadiene to the cycloheptatriene radical cation by opening a bridgehead-methylene bond: a theoretical investigation. |
| PubMed:The gas-phase basicity and proton affinity of 7-methyl-1,3,5-cycloheptatriene as determined by the thermokinetic method. |
| PubMed:Quadricyclane radical cation rearrangements: a computational study of the transformations to 1,3,5-cycloheptatriene and norbornadiene. |
| PubMed:The gas-phase basicity and proton affinity of 1,3,5-cycloheptatriene--energetics, structure and interconversion of dihydrotropylium ions. |
| PubMed:Ultrafast diffraction and structural dynamics: the nature of complex molecules far from equilibrium. |
| PubMed:Neurotoxicity of 1-methoxycycloheptatriene--a Purkinje cell toxicant. |
| PubMed:Comparative induction of gene mutations and chromosome damage by 1-methoxy-1,3,5-cycloheptatriene (MCHT), 2. Results using L5178Y mouse lymphoma cells to detect both gene and chromosome damage; validation with ionizing radiation, methyl methanesulphonate, ethyl methanesulphonate and benzo[a]pyrene. |
| PubMed:Comparative induction of gene mutations and chromosome damage by 1-methoxy-1,3,5-cycloheptatriene (MCHT), 1. Results from a battery of standard tests. |
| PubMed:Antibacterial activity of tropilidine and tropone. |
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3D/inchi