dihydrosafrole
1-(3,4-methylenedioxyphenyl)propane
Identification
| Name | dihydrosafrole |
| IUPAC | 5-propyl-1,3-benzodioxole |
| CAS Number | 94-58-6 |
| EINECS | 202-344-9 |
| FDA UNII | 2ML63PLH7G |
| Molecular Formula | C10 H12 O2 |
| Molecular Weight | 164.20404000 |
| MDL Number | MFCD00022999 |
| Nikkaji Number | J15.552G |
| Beilstein | 0131188 |
| XlogP3 | 3.20 (est) |
Regulatory
Physical Properties
| Appearance | colorless to pale yellow clear liquid (est) |
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 1.06300 to 1.07000 @ 25.00 °C. |
| Pounds per Gallon - (est). | 8.845 to 8.903 |
| Refractive Index | 1.51700 to 1.52000 @ 20.00 °C. |
| Boiling Point | 112.00 °C. @ 15.00 mm Hg, 225.52 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.056000 mmHg (est) |
| Flash Point | 211.00 °F. TCC ( 99.30 °C. ) (est) |
| logP (o/w) | 3.587 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
Organoleptic Properties
| Odor Description | at 10.00 % in dipropylene glycol. |
Safety Information
| Human Experience | 12 % solution: no irritation or sensitization. |
| Oral/Parenteral Toxicity | oral-rat LD50 2260 mg/kg |
| Dermal Toxicity | skin-rabbit LD50 > 5000 mg/kg |
| 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 | information only not used for fragrances or flavors |
| IFRA Critical Effect | Carcinogenicity |
| fragrance material specification | Safrole as such should not be used as a fragrance ingredient; essential oils containing safrole should not be used at a level such that the total concentration of safrole exceeds 0.01% in consumer products. Examples of essential oils with a high safrole content are Sassafras oil (Sassafras officinale Nees& Eberm.), Ocotea Cymbarum oil (Ocotea pretiosa Metz) and certain qualities of Camphor oils. The total concentration of safrole, isosafrole and dihydrosafrole should not exceed 0.01% in consumer products. These recommendations are based on the conclusions of the Scientific Committee on Cosmetology of the EEC on safrole and on the similarity of the biological activity of these substances (Scientific Committee of Cosmetology of the EEC, opinion reached on September 2, 1980; Communication to the EEC Commission ENV/521/79 and IARC Monograph Vol. 10, 1976, 231-244). |
| IFRA RESTRICTION LIMITS IN THE FINISHED PRODUCT (%) | Category 1: Products applied to the lips |
| Notes | IFRA FLAVOR REQUIREMENTS: |
| Recommendation for dihydrosafrole flavor usage levels up to | not for flavor use. |
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Potential Uses
Natural Occurrence
Synonyms
benzene, 1,2-(methylenedioxy)-4-propyl-
benzene, 1,2-methylenedioxy-4-propyl-
1,3-
benzodioxole, 5-propyl-
dihydrosafrol
2',3'-
dihydrosafrole
1,2-
methylenedioxy-4-propyl benzene
[1,2-(
methylenedioxy)-4-propyl]benzene
1,2-(
methylenedioxy)-4-propylbenzene
1-(3,4-
methylenedioxyphenyl)propane
4-
propyl-1,2-(methylenedioxy)benzene
4-
propyl-1,2-methylenedioxybenzene
5-
propyl-1,3-benzodioxole
safrole, dihydro-
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