safrole

General Material Information

Preferred name	safrole
Trivial Name	Safrole
Short Description	benzodioxole, 5-(2-propenyl)-
Formula	C10 H10 O2
CAS Number	94-59-7
ECHA Number	202-345-4
FDA UNII	RSB34337V9
Nikkaji Number	J3.946B
MDL	MFCD00005841
Bio Activity Summary	External link
NMR Predictor	External link
JECFA Food Flavoring	1792 safrole
FDA Mainterm	94-59-7 ; SAFROLE--PROHIBITED
Synonyms	allyl catechol methylene ether allyl dioxybenzene methylene ether meta- allyl pyrocatechin methylene ether m- allyl pyrocatechinmethylene ether 4-allyl pyrocatechol formaldehyde acetal allyl pyrocatechol methylene ether 3-allyl-1,2-(methylenedioxy)benzene 4-allyl-1,2-methylene dioxybenzene 4-allyl-1,2-methylenedioxybenzene 5-allyl-1,3-benzodioxole 1-allyl-3,4-methylene dioxybenzene 1-allyl-3,4-methylenedioxybenzene 4-allyl-procatecol 5-allylbenzo[d][1,3]dioxole 4-allylcatechol methylene ether m- allylpyrocatechin methylene ether 4-allylpyrocatechol formaldehyde acetal 4-allylpyrocatechol methylene ether 1,3-benzodioxole, 5-(2-propen-1-yl)- benzodioxole, 5-(2-propenyl)- 1,3-benzodioxole, 5-(2-propenyl)- 1,2-methylene dioxy-4-allyl benzene 1,2-methylenedioxy-4-allylbenzene 3,4-methylenedioxy-allylbenzene 3-[(3,4-methylenedioxy)phenyl]-1-propene 5-( prop-2-en-1-yl)-1,3-benzodioxole 5-prop-2-enyl-1,3-benzodioxole 5-(2-propenyl)-1,3-benzodioxole rhyuno shikimol shikomol 5-prop-2-enyl-1,3-benzodioxole 1,3-Benzodioxole, 5-(2-propen-1-yl)- Benzene, 4-allyl-1,2-(methylenedioxy)- 1,3-Benzodioxole, 5-(2-propenyl)- 5-(2-Propen-1-yl)-1,3-benzodioxole Allylcatechol methylene ether Allyldioxybenzene methylene ether 1-Allyl-3,4-methylenedioxybenzene m-Allylpyrocatechin methylene ether Allylpyrocatechol methylene ether 3,4-Methylenedioxy-allylbenzene Safrol Safrole MF Shikimole 5-Allyl-1,3-benzodioxole Rhyuno oil 4-Allyl-1,2-(methylenedioxy)benzene 3-(3,4-Methylenedioxyphenyl)prop-1-ene NSC 11831 5-(2-Propenyl)-1,3-benzodioxole Alda 89 5-Allylbenzo[d][1,3]dioxole MeSH ID: D012451

US / EU / FDA / JECFA / FEMA / Scholar / Patents

Google Scholar	Start search
Google Books	Start search
Google Patents	Start search
Perfumer & Flavorists	Start search
EU Patents	Start search
PubMeb	Start search
NCBI	Start search

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
FDA Substances Added to Food (formerly EAFUS):	View
CHEBI:	View
CHEMBL:	View
KEGG (GenomeNet):	C10490
HMDB (The Human Metabolome Database):	HMDB33591
FooDB:	FDB011672
Export Tariff Code:	2932.94.0000
Typical G.C.
VCF-Online:	VCF Volatile Compounds in Food
ChemSpider:	View
Wikipedia:	View
Formulations/Preparations: •constituent of several essential oils, notably sassafras in which it is present to the extent of about 75%. •grade: technical

Suppliers

Alfa Biotechnology	Berjé
BOC Sciences	Fleurchem
Penta International	Reincke & Fichtner
Berje Inc.	Fleurchem, Inc.
Penta International Corporation

PhysChem Properties

Material listed in food chemical codex	No
Molecular weight	162.18809509277
Specific gravity	@ 25 °C
Pounds per Gallon	8.903 to 9.153
Refractive Index	1.527 to 1.538 @ 20 °C
Melting Point	10.5 to 11.5°C @ 760 mm Hg
Boiling Point	232 to 234°C @ 760 mm Hg
Boiling Point	143 to 144°C @ 50 mm Hg
Vapor Pressure	0.087 mmHg @ 25 °C
Flash Point TCC Value	97.78 °C TCC
logP (o/w)	3.098 est
Solubility
alcohol	Yes
water, 75.98 mg/L @ 25 °C (est)	Yes
water	No
Stability
non-discoloring in most media	Unspecified

Organoleptic Properties

Odor Type: Spicy
sweet, warm, spicy, woody, floral, sassafrass, anise
Odor strength	medium , recommend smelling in a 10.00 % solution or less
Substantivity	44 hour(s) at 100.00 %
Luebke, William tgsc, (1982)	At 10.00 % in dipropylene glycol. sweet warm spicy woody floral sassafrass anise

Occurrences

Potential Uses

Applications	natural substances and extractives
Odor purposes	Nutmeg, Witch hazel, Wormseed oil replacer
Flavoring purposes	Beer birch beer, Cinnamon, Gooseberry, Root beer, Sarsaparilla, Sassafras
Cosmetic purposes	Not used anymore

Safety Information

Safety information

European information :
Most important hazard(s):
T - Toxic.
R 20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R 45 - May cause cancer. R 46 - May cause heritable genetic damage. S 01/02 - Keep locked up and out of the reach of children. S 20/21 - When using do not eat, drink or smoke. S 23 - Do not breath vapour. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 27 - Take off immediately all contaminated clothing. S 28 - After contact with skin, wash immediately with plenty of water. S 29 - Do not empty into drains. S 36/37/39 - Wear suitable clothing, gloves and eye/face protection. S 45 - In case of accident or if you feel unwell seek medical advice immediately. S 53 - Avoid exposure - obtain special instructions before use.

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.
Oral/Parenteral Toxicity:
oral-rat LD50 1950 mg/kg BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Toxicology and Applied Pharmacology. Vol. 7, Pg. 18, 1965. oral-mouse LD50 2350 mg/kg BEHAVIORAL: ATAXIA BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964. oral-rabbit LD50 1000 mg/kg BEHAVIORAL: ATAXIA PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE KIDNEY, URETER, AND BLADDER: OTHER CHANGES IN URINE COMPOSITION Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 35, Pg. 342, 1895. intravenous-rabbit LD50 200 mg/kg VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION VASCULAR: BP ELEVATION NOT CHARACTERIZED IN AUTONOMIC SECTION Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 35, Pg. 342, 1895.
Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg Food and Cosmetics Toxicology. Vol. 12, Pg. 983, 1974. subcutaneous-mouse LD50 1020 mg/kg BEHAVIORAL: EXCITEMENT Sapporo Igaku Zasshi. Sapporo Medical Journal. Vol. 3, Pg. 73, 1952. subcutaneous-rabbit LDLo 1000 mg/kg BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 35, Pg. 342, 1895.
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 safrole flavor usage levels up to:
	not for flavor use.