isosafrole

General Material Information

Preferred name	isosafrole
Trivial Name	Isosafrole
Formula	C10 H10 O2
CAS Number	120-58-1
Deleted CAS Number	191281-03-5
ECHA Number	204-410-2
FDA UNII	W6337429LF
Beilstein Number	0082640
MDL	MFCD00005838
Bio Activity Summary	External link
NMR Predictor	External link
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 5-prop-1-enyl-1,3-benzodioxole 1,3-Benzodioxole, 5-(1-propen-1-yl)- 1,3-Benzodioxole, 5-(1-propenyl)- 5-(1-Propen-1-yl)-1,3-benzodioxole 1,2-(Methylenedioxy)-4-propenylbenzene 5-(Propen-1-yl)-1,3-benzodioxole 3,4-(Methylenedioxy)-1-propenylbenzene 6-(1-Propenyl)-1,3-benzodioxole NSC 4884 NSC 59192 NSC 92436

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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
CHEMBL:	View
HMDB (The Human Metabolome Database):	HMDB02333
FooDB:	FDB012296
Export Tariff Code:	2932.91.0000
VCF-Online:	VCF Volatile Compounds in Food
ChemSpider:	View
Wikipedia:	View

Suppliers

BOC Sciences	Penta International
Reincke & Fichtner	Sigma-Aldrich: Aldrich
Penta International Corporation

PhysChem Properties

Material listed in food chemical codex	No
Molecular weight	162.18809509277
Boiling Point	127 to 128°C @ 15 mm Hg
Boiling Point	254 to 255°C @ 760 mm Hg
Flash Point TCC Value	110.1 °C TCC
logP (o/w)	3.344 est
Solubility
alcohol	Yes
water, 88.68 mg/L @ 25 °C (est)	Yes
water	No

Organoleptic Properties

Odor Type: Spicy
sweet, sassafrass, spicy
General comment	At 10.00 % in dipropylene glycol. sweet sassafrass spicy

Occurrences

Potential Uses

Applications	natural substances and extractives
Odor purposes	Root beer, Sassafras
Flavoring purposes	Sarsaparilla

Safety Information

Safety information

Preferred SDS: View

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:
8 % solution: no irritation or sensitization.
Oral/Parenteral Toxicity:
intraperitoneal-mouse LD50 324 mg/kg Yakugaku Zasshi. Journal of Pharmacy. Vol. 104, Pg. 793, 1984. oral-mouse LD50 2470 mg/kg BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964. intravenous-rabbit LDLo 300 mg/kg Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 35, Pg. 342, 1895. oral-rat LD50 1340 mg/kg Toxicology and Applied Pharmacology. Vol. 7, Pg. 18, 1965.
Dermal Toxicity:
subcutaneous-mouse LD50 1030 mg/kg BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Sapporo Igaku Zasshi. Sapporo Medical Journal. Vol. 3, Pg. 73, 1952.
Inhalation Toxicity:
Not determined

Safety in use information

Category:
natural substances and extractives
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 product does not exceed 0.01%.

Recommendation for isosafrole flavor usage levels up to:
	not for flavor use.