safrole
benzodioxole, 5-(2-propenyl)-
Identification
| Name | safrole |
| IUPAC | 5-prop-2-enyl-1,3-benzodioxole |
| CAS Number | 94-59-7 |
| EINECS | 202-345-4 |
| FDA UNII | RSB34337V9 |
| Molecular Formula | C10 H10 O2 |
| Molecular Weight | 162.18810000 |
| MDL Number | MFCD00005841 |
| Nikkaji Number | J3.946B |
| XlogP3 | 3.00 (est) |
Regulatory
| JECFA Food Flavoring | 1792 safrole |
| FDA Mainterm (SATF) | 94-59-7 ; SAFROLE--PROHIBITED |
| FDA Regulation | FDA PART 189 -- SUBSTANCES PROHIBITED FROM USE IN HUMAN FOOD |
Physical Properties
| Appearance | colorless to pale yellow clear liquid (est) |
| Assay | 98.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 1.07000 to 1.10000 @ 25.00 °C. |
| Pounds per Gallon - (est). | 8.903 to 9.153 |
| Refractive Index | 1.52700 to 1.53800 @ 20.00 °C. |
| Melting Point | 10.50 to 11.50 °C. @ 760.00 mm Hg |
| Boiling Point | 232.00 to 234.00 °C. @ 760.00 mm Hg, 143.00 to 144.00 °C. @ 50.00 mm Hg |
| Congealing Point | 10.30 °C. |
| Vapor Pressure | 0.087000 mmHg @ 25.00 °C. (est) |
| Flash Point | 208.00 °F. TCC ( 97.78 °C. ) |
| logP (o/w) | 3.098 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
| Stability | non-discoloring in most media |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | not used anymore |
Organoleptic Properties
| Odor Strength | medium , |
| Substantivity | 44 hour(s) at 100.00 % |
| Odor Description | at 10.00 % in dipropylene glycol. |
| Odor sample from | Berje Inc. |
Safety Information
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | oral-rat LD50 1950 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', 'BEHAVIORAL: ATAXIA\nPERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE\nKIDNEY, URETER, AND BLADDER: OTHER CHANGES IN URINE COMPOSITION', 'VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION\nVASCULAR: BP ELEVATION NOT CHARACTERIZED IN AUTONOMIC SECTION', 'BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)\n\nPERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE']
Safety in Use
| Category | natural substances and extractives |
| 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 safrole flavor usage levels up to | not for flavor use. |
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