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leerall / methyl anthranilate schiff's base

Chemical Structure

General Material Information

Preferred name leerall / methyl anthranilate schiff's base
Trivial Name Methyl 2-[[[4-(4-hydroxy-4-methylpentyl)-3-cyclohexen-1-yl]methylene]amino]benzoate
Short Description lyrame (IFF)
Formula C21 H29 N O3
CAS Number 67634-12-2
ECHA Number 266-816-6
FDA UNII Search
Nikkaji Number J333.247K
xLogP3-AA 3.40 (est)
NMR Predictor External link
Synonyms
  • benzoic acid, 2-(((4-(4-hydroxy-4-methylpentyl)-3-cyclohexen-1-yl)methylene)amino)-, methyl ester
  • benzoic acid, 2-(((4-(4-hydroxy-4-methylpentyl)-3-cyclohexenyl)methylene)amino)-, methyl ester
  • benzoic acid, 2-((4-(4-hydroxy-4-methylpentyl)-3-cyclohexen-1-yl)methylene)amino-, methyl ester
  • 2-(((4-(4-hydroxy-4-methylpentyl)-3-cyclohexen-1-yl)methylene)amino)benzoic acid, methyl ester
  • lyrame (IFF)
  • lyrame super (IFF)
  • lyrantion (Quest)
  • lyrantion 50%DPG (Quest)
  • methyl 2-(((4-(4-hydroxy-4-methyl pentyl)-3-cyclohexenyl)methylene)amino) benzoate
  • methyl 2-(((4-(4-hydroxy-4-methylpentyl)-3-cyclohexenyl)methylene)amino)benzoate
  • methyl 2-(((E)-1-(4-(4-hydroxy-4-methyl pentyl)-3-cyclohexenyl)methylidene)amino)-1-benzene
  • methyl 2-[[4-(4-hydroxy-4-methylpentyl)-1-cyclohex-3-enyl]methylideneamino]benzoate
  • methyl anthranilate / leerall schiff's base
  • methyl anthranilate / lyral
  • methyl anthranilate / lyral schiff base
  • methyl anthranilate / lyral schiff base 50% in DEP
  • methyl hydroxymethyl pentyl cyclohexenyl methylene aminobenzoate
  • methyl N-((4-(4-hydroxy-4-methyl pentyl)-3-cyclohexen-1-yl)methylidene) anthranilate
  • methyl N-((4-(4-hydroxy-4-methylpentyl)-3-cyclohexen-1-yl)methylidene)anthranilate
  • schiff lyral
  • schiff's base lyrama super
  • Benzoic acid, 2-[[[4-(4-hydroxy-4-methylpentyl)-3-cyclohexen-1-yl]methylene]amino]-, methyl ester
  • Methyl 2-[[[4-(4-hydroxy-4-methylpentyl)-3-cyclohexen-1-yl]methylene]amino]benzoate

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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 343.46673583984
Specific gravity @ 25 °C
Pounds per Gallon 8.843 to 8.909
Refractive Index 1.5259 to 1.5354 @ 20 °C
Boiling Point 497 to 498°C @ 760 mm Hg
Flash Point TCC Value 100 °C TCC
logP (o/w) 4.05
Shelf life 36 months (or longer if stored properly.)
Storage notes Store in cool, dry place in tightly sealed containers, protected from heat and light.
Solubility
alcohol Yes
oils Yes
water, 0.2014 mg/L @ 25 °C (est) Yes
water No
Stability
alcoholic lotion Unspecified
deo stick Unspecified
fabric softener Unspecified
shampoo Unspecified

Organoleptic Properties

Odor Type: Floral
fresh, lily, floral, sweet, orangeflower
Odor strength medium , recommend smelling in a 50.00 % solution or less
Substantivity 400 hour(s) at 100.00 %
Luebke, William tgsc, (1990) At 50.00 % in dipropylene glycol. fresh lily floral sweet orangeblossom
General comment Tenacious floral absolute odor with a very sweet, orange blossom profile. Increases the substantivity of a fragrance and provides fixation and floralcy as well

Potential Uses

Applications
Odor purposes Citrus, Floral, Greenhouse, Lily, Lily of the valley, Magnolia, Neroli, Orange blossom, Tuberose
Cosmetic purposes Perfuming agents

Safety Information

Safety information

European information :
Most important hazard(s):
Xi - Irritant
R 36/38 - Irritating to skin and eyes.
R 43 - May cause sensitisation by skin contact.
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

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)
3,4-leerall Max. Found: 61.3 % and Reason: Sensitization
leerall Max. Found: 61.3 % and Reason: Sensitization
Recommendation for leerall / methyl anthranilate schiff's base usage levels up to:
5.0000 % in the fragrance concentrate.
Recommendation for leerall / methyl anthranilate schiff's base flavor usage levels up to:
not for flavor use.

Safety references

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):67634-12-2
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :106740
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
methyl 2-[[4-(4-hydroxy-4-methylpentyl)-1-cyclohex-3-enyl]methylideneamino]benzoate
Chemidplus:0067634122