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dihydrosafrole
1-(3,4-methylenedioxyphenyl)propane

Supplier Sponsors

Name:5-propyl-1,3-benzodioxole
CAS Number: 94-58-6Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:202-344-9
FDA UNII: 2ML63PLH7G
Nikkaji Web:J15.552G
Beilstein Number:0131188
MDL:MFCD00022999
XlogP3:3.20 (est)
Molecular Weight:164.20404000
Formula:C10 H12 O2
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:information only not used for fragrances or flavors
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
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
Boiling Point: 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
 water, 56.87 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: spicy
spicy sassafrass
Odor Description:at 10.00 % in dipropylene glycol. spicy sassafrass
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Carbosynth
For experimental / research use only.
Dihydrosafrole
Fleurchem
dihydrosafrole
Penta International
DIHYDROSAFROLE
Santa Cruz Biotechnology
For experimental / research use only.
Dihydrosafrole
 
Safety Information:
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Human Experience:
12 % solution: no irritation or sensitization.
Oral/Parenteral Toxicity:
oral-rat LD50 2260 mg/kg
Toxicology and Applied Pharmacology. Vol. 7, Pg. 18, 1965.

oral-mouse LD50 3700 mg/kg
Toxicology and Applied Pharmacology. Vol. 7, Pg. 18, 1965.

intraperitoneal-mouse LD50 2830 mg/kg
Comptes Rendus Hebdomadaires des Seances, Academie des Sciences. Vol. 250, Pg. 1148, 1960.

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Food and Cosmetics Toxicology. Vol. 12, Pg. 527, 1974.

Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
information only not used for fragrances or flavors
IFRA Critical Effect:
Carcinogenicity
IFRA 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).
 View the IFRA Standard
View IFRA Standards Library for complete information.
Please review Amendment 49 IFRA documentation for complete information.
IFRA RESTRICTION LIMITS IN THE FINISHED PRODUCT (%):
Category 1: Products applied to the lips
See notebox %
Category 2: Products applied to the axillae
See notebox %
Category 3: Products applied to the face/body using fingertips
See notebox %
Category 4: Products related to fine fragrance
See notebox %
 Category 5: Products applied to the face and body using the hands (palms), primarily leave-on
Category 5A: Body lotion products applied to the body using the hands (palms), primarily leave-on
See notebox %
Category 5B: Face moisturizer products applied to the face using the hands (palms), primarily leave-on
See notebox %
Category 5C: Hand cream products applied to the hands using the hands (palms), primarily leave-on
See notebox %
Category 5D: Baby Creams, baby Oils and baby talc
See notebox %
Category 6: Products with oral and lip exposure
See notebox %
 Category 7: Products applied to the hair with some hand contact
Category 7A: Rinse-off products applied to the hair with some hand contact
See notebox %
Category 7B: Leave-on products applied to the hair with some hand contact
See notebox %
Category 8: Products with significant anogenital exposure
See notebox %
Category 9: Products with body and hand exposure, primarily rinse off
See notebox %
 Category 10: Household care products with mostly hand contact
Category 10A: Household care excluding aerosol products (excluding aerosol/spray products)
See notebox %
Category 10B: Household aerosol/spray products
See notebox %
 Category 11: Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate
Category 11A: Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
See notebox %
Category 11B: Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
See notebox %
Category 12: Products not intended for direct skin contact, minimal or insignificant transfer to skin
See notebox
 Notes:
IFRA FLAVOR REQUIREMENTS:

Due to the possible ingestion of small amounts of fragrance ingredients from their use in products in Categories 1 and 6, materials must not only comply with IFRA Standards but must also be recognized as safe as a flavoring ingredient as defined by the IOFI Code of Practice (www.iofi.org). For more details see chapter 1 of the Guidance for the use of IFRA Standards.

Fragrance ingredient restriction - Note box
On the basis of established maximum concentration levels of this substance in commercially available natural sources (like essential oils, extracts and absolutes), exposure to this substance from the use of these oils and extracts is regarded acceptable as long as the total concentration of Safrole, Isosafrole and Dihydrosafrole in the finished consumer pro duct doesnot exceed 0.01%.
 
Recommendation for dihydrosafrole flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
Chemical Carcinogenesis Research Information System:Search
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
Carcinogenic Potency Database:Search
EPA GENetic TOXicology:Search
EPA Substance Registry Services (TSCA):94-58-6
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :7197
National Institute of Allergy and Infectious Diseases:Data
5-propyl-1,3-benzodioxole
Chemidplus:0000094586
EPA/NOAA CAMEO:hazardous materials
 
References:
 5-propyl-1,3-benzodioxole
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:94-58-6
Pubchem (cid):7197
Pubchem (sid):134971291
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
CHEBI:View
KEGG (GenomeNet):C19229
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2932.99.6550
ChemSpider:View
Wikipedia:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
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-
 
 
Notes:
None found
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