anisyl propanal / methyl anthranilate schiff's base

General Material Information

Preferred name	anisyl propanal / methyl anthranilate schiff's base
Trivial Name	Methyl 2-[[3-(4-methoxyphenyl)-2-methylpropylidene]amino]benzoate
Short Description	canthoxal / methyl anthranilate schiff's base
Formula	C19 H21 N O3
CAS Number	111753-62-9
FDA UNII	Search
Nikkaji Number	J1.558.078J
xLogP3-AA	3.80 (est)
NMR Predictor	External link
Synonyms	benzoic acid, 2-((3-(4-methoxyphenyl)-2-methylpropylidene)amino)-, methyl ester 2-((3-(4-methoxyphenyl)-2-methyl propylidene)amino) benzoic acid methyl ester methyl 2-[[3-(4-methoxyphenyl)-2-methylpropylidene]amino]benzoate methyl anthranilate / anisyl propanal schiff's base methyl anthranilate / canthoxal schiff's base Benzoic acid, 2-[[3-(4-methoxyphenyl)-2-methylpropylidene]amino]-, methyl ester

(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
HMDB (The Human Metabolome Database):	Search
Export Tariff Code:	2922.49.8050
ChemSpider:	View

Material listed in food chemical codex	No
Molecular weight	311.38098144531
Specific gravity	@ 25 °C
Pounds per Gallon	9.149 to 9.216
Refractive Index	1.548 to 1.557 @ 20 °C
Boiling Point	465 to 466°C @ 760 mm Hg
Flash Point TCC Value	110 °C TCC
logP (o/w)	5.163 est
Shelf life	48 months (or longer if stored properly.)
Solubility
alcohol	Yes
water, 1.461 mg/L @ 25 °C (est)	Yes
water	No

Odor Type: Floral
sweet, anise, hawthorn, green, floral, cortex, mimosa, spicy, powdery
Odor strength	medium , recommend smelling in a 50.00 % solution or less
Substantivity	400 hour(s) at 100.00 %
Luebke, William tgsc, (1988)	At 50.00 % in dipropylene glycol. sweet anise hawthorn green floral cortex mimosa absolute spicy powdery
Used in fine perfumes for its mimosa absolute character.	A floral, powdery, spicy note
General comment	SWEET, ANISE, GREEN, FLORAL

Applications	fragrance agents
Odor purposes	Angel essence , Anise , Crabapple , Apple red apple , Apricot , Balsam , Banana , Basil oil replacer , Bergamot , Blackberry , Blueberry , Bouquet , Boysenberry , Butterscotch , Cabreuva wood , Cassia , Cherry , Cherry black cherry , Cherry blossom , Christmas , Chypre , Colonia , Cotton candy , Country meadow , Crabapple blossom , Cranberry , Cucumber , Currant , Daffodil , Eglantine , Fennel , Fern , Fetes , Fig , Fir balsam , Fir needle oil replacer , Floral , Forest , Frangipani plumeria , Freesia , Gardenia , Gooseberry , Grape , Hawthorn , Heliotrope , Herbal , Hibiscus , Honeysuckle , Hyacinth , Jasmin , Kiwi blossom , Licorice , Lilac , Lily , Lily of the valley , Linden flower , Loganberry , Lychee , Magnolia , Mango , Mango flower , Melon , Mimosa , Moss , Mulberry , Musk , Orange blossom , Oriental , Pansy , Papaya , Passion blossom , Passion fruit , Peach , Peach blossom , Peony , Pineapple , Plum , Plum blossom , Pomegranate , Raspberry , Raspberry black raspberry , Redwood , Rose , Rose white rose , Scented stock , Strawberry , Sweet pea , Tobacco , Toffee , Tuberose , Valerian , Vanilla , Violet , Wallflower , Wisteria , Woody
Flavoring purposes	Chocolate cacao , Cookie , Jackfruit , Marshmallow , Nectarine , Starfruit , Tropical , Valerian
Other purposes	Blossom tropical blossom , Fantasy blends , Fruit dried fruit , Jam , Rose wild rose

European information :
Most important hazard(s):
Xi - Irritant
R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. 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 36 - Wear suitable protective clothing.

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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Category:
fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
IFRA Critical Effect:
Sensitization
IFRA fragrance material specification:
	The IFRA Scientific Committee examined the physicochemical properties of Schiff bases and concluded that, based on the available information, these materials should be considered under contributions from other sources. By default, the stoichiometric presence of the aldehydes of the Schiff bases is taken into account assuming 100% dissociation. An indicative list of Schiff bases incorporating aldehydes covered by an IFRA Standard of restriction is reported at page 2. These Schiff bases must be taken into account for determination of the maximum use level of the respective aldehydes.
contains the following IFRA (Annex) restricted components: (non-analysis max. level reference only)
para-anisyl propanal	Max. Found: 57.3 % and Reason: Sensitization
Recommendation for anisyl propanal / methyl anthranilate schiff's base usage levels up to:
	8.0000 % in the fragrance concentrate.

Recommendation for anisyl propanal / methyl anthranilate schiff's base flavor usage levels up to:
	not for flavor use.

EPA Substance Registry Services (TSCA):111753-62-9

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :3034267

National Institute of Allergy and Infectious Diseases:Data

methyl 2-[[3-(4-methoxyphenyl)-2-methylpropylidene]amino]benzoate

Chemidplus:0111753629