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ocean propanal / methyl anthranilate schiff's base

General Material Information

Preferred name ocean propanal / methyl anthranilate schiff's base
Trivial Name 2-[[3-(1,3-benzodioxol-5-yl)-2-methylpropylidene]amino]benzoate
Short Description helional / methyl anthranilate schiff's base
Formula C19 H19 N O4
CAS Number 111753-60-7
CAS Number 104037-85-6
FDA UNII 9D297714YE
Nikkaji Number J2.191.527K
xLogP3-AA 3.70 (est)
NMR Predictor External link
Synonyms
  • aquantraal
  • benzoic acid, 2-[[3-(1,3-benzodioxol-5-yl)-2-methyl-1-propenyl]amino]-, methyl ester
  • benzoic acid, 2-[[3-(1,3-benzodioxol-5-yl)-2-methyl-1-propen-1-yl]amino]-, methyl ester
  • corps oranger
  • helioforte
  • helional / methyl anthranilate schiff's base
  • methyl 2-((3-(1,3-benzodioxol-5-yl-2-methyl propylidene)amino)-1-benzene carboxylate
  • methyl 2-{[(1E)-3-(1,3-benzodioxol-5-yl)-2-methylpropylidene]amino}benzoate
  • methyl 2-{[3-(1,3-benzodioxol-5-yl)-2-methylprop-1-en-1-yl]amino}benzoate
  • methyl anthranilate / alpha-methyl-1,3-benzodioxole-5-propionaldehyde schiff's base
  • methyl anthranilate / ocean propanal schiff's base
  • methyl benzodioxolyl ethyl propenyl aminobenzoate
  • alpha- methyl-1,3-benzodioxole-5-propionaldehyde / methyl anthranilate schiff's base
  • schiff's base helioname

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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
HMDB (The Human Metabolome Database):Search
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 325.36422729492
Specific gravity @ 25 °C
Pounds per Gallon 9.648 to 9.715
Refractive Index 1.555 to 1.564 @ 20 °C
Boiling Point 491 to 492°C @ 760 mm Hg
Flash Point TCC Value 93.33 °C TCC
logP (o/w) 5.2 est
Solubility
alcohol Yes
water, 1.254 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Floral
fresh, green, floral, orangeflower, ozone, leafy, cortex
Odor strength medium , recommend smelling in a 50.00 % solution or less
Substantivity 400 hour(s) at 100.00 %
Luebke, William tgsc, (1997) At 50.00 % in dipropylene glycol. fresh green floral orangeblossom ozone leafy cortex
Much fresher and more diffusive than the better-known Schiff’s base of Hydroxycitronellal with Methyl Anthranilate (see Aurantiol). The pure material, when fully reacted, has the consistency of soft rocks and is notoriously difficult to dissolve. Supplied here at 20% in Benzyl benzoate it’s a mobile, though still syrupy, liquid. Fresh, airy, floral-orangeblossom, ozone, green-leafy. Very diffusive
General comment ORANGE BLOSSOM,GREEN,FLORAL,OZONE

Potential Uses

Applications
Odor purposes Agrumen aldehyde, Aldehydic, Alpine bouquet, Animal, Apple blossom, Apple green apple, Ash mountain ash, Bark, Blueberry, Boronia, Bouquet, Boxwood, Boxwood blossom, Boysenberry, Bramble arctic bramble blackberry, Cabreuva wood, Cedar forest, Champaca, Chestnut blossom, Cilantro, Clematis, Clover, Colonia, Cortex, Country meadow, Crabapple blossom, Cranberry, Cucumber, Cyclamen, Daffodil, Eglantine, Evergreen, Fagonia, Fern, Fir balsam, Fir needle oil replacer, Floral, Foliage, Forest, Fresh outdoors, Galbanum, Gooseberry, Grapefruit, Green, Green leaf, Hay new mown hay, Herbal, Hinoki oil replacer, Hollyberry, Honeysuckle, Huckleberry, Iris blossom, Ivy, Jasmin, Juniper berry, Kiwi, Kiwi blossom, Leather, Lemon, Lily, Lily of the valley, Lily water lily, Lime, Linden flower, Loganberry, Lotus, Lychee, Magnolia, Mango, Mango flower, Melon, Mulberry, Narcissus, New car, Ocean sea, Orange bitter orange peel, Orange blossom, Orchid, Oriental, Pansy, Papaya, Passion fruit, Peach, Peach blossom, Pear, Petunia, Phlox, Pine, Poppy, Privet blossom, Quince, Reseda, Rhubarb, Rose moss rose, Rose tea rose, Rose white rose, Saffron, Spring rain, Stephanotis, Tulip, Verbena, Violet, Woody, Yew
Flavoring purposes Cherry wild cherry, Cilantro, Cloudberry bakeapple, Jackfruit, Lettuce, Orange bitter orange peel, Pear prickly pear, Starfruit
Other purposes Clean, Diorella, Dry, Exotic, Fantasy blends, Fixer, Natural, Ozone, Paper, Rose wild rose, Watery
Cosmetic purposes Perfuming agents

Safety Information

Safety information

European information :
Most important hazard(s):
Xi - Irritant
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
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

Safety in use information

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)
ocean propanal Max. Found: 59.1 % and Reason: Sensitization
Recommendation for ocean propanal / methyl anthranilate schiff's base usage levels up to:
5.0000 % in the fragrance concentrate.
Recommendation for ocean propanal / methyl anthranilate schiff's base flavor usage levels up to:
not for flavor use.

Safety references

EPI System: View
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EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :4100752
National Institute of Allergy and Infectious Diseases:Data
2-[[3-(1,3-benzodioxol-5-yl)-2-methylpropylidene]amino]benzoate
Chemidplus:0111753607
methyl 2-[[(E)-3-(1,3-benzodioxol-5-yl)-2-methylprop-1-enyl]amino]benzoate
Chemidplus:0104037856