isosafrole
Identification
| Name | isosafrole |
| IUPAC | 5-prop-1-enyl-1,3-benzodioxole |
| CAS Number | 120-58-1 |
| EINECS | 204-410-2 |
| FDA UNII | W6337429LF |
| Molecular Formula | C10 H10 O2 |
| Molecular Weight | 162.18810000 |
| MDL Number | MFCD00005838 |
| Beilstein | 0082640 |
| XlogP3 | 3.10 (est) |
Regulatory
Physical Properties
| Appearance | colorless to pale yellow clear liquid (est) |
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Melting Point | 6.75 °C. @ 760.00 mm Hg |
| Boiling Point | 127.00 to 128.00 °C. @ 15.00 mm Hg, 254.00 to 255.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.025000 mmHg (est) |
| Flash Point | 230.00 °F. TCC ( 110.10 °C. ) (est) |
| logP (o/w) | 3.344 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
Organoleptic Properties
| Odor Description | at 10.00 % in dipropylene glycol. |
Safety Information
| Preferred SDS | View |
| Human Experience | 8 % solution: no irritation or sensitization. |
| Oral/Parenteral Toxicity | intraperitoneal-mouse LD50 324 mg/kg |
| Dermal Toxicity | subcutaneous-mouse LD50 1030 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 | 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 isosafrole flavor usage levels up to | not for flavor use. |
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Potential Uses
Natural Occurrence
Synonyms
1-
allyl,3,4-methylenedioxy benzene
benzene, 1,2-(methylenedioxy)-4-propenyl-
1,3-
benzodioxole, 5-(1-propen-1-yl)-
1,3-
benzodioxole, 5-(1-propenyl)-
3,4-(
methylenedioxy)-1-propenylbenzene
1,2-(
methylenedioxy)-4-propenylbenzene
3,4-(
methylenedioxy)allylbenzene
3,4-
methylenedioxy-1-propenyl benzene
1,2-
methylenedioxy-4-propenylbenzene
5-
prop-1-en-1-yl-1,3-benzodioxole
5-
prop-1-enyl-1,3-benzodioxole
5-
propen-1-yl]-1,3-benzodioxole
5-(1-
propenyl)-1,3-benzodioxole
(5-
propenyl)-benzo[1,3]dioxole
4-
propenyl-1,2-methylenedioxybenzene
4-
propenylcatechol methylene ether
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