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citronellal / methyl anthranilate schiff's base

Chemical Structure

General Material Information

Preferred name citronellal / methyl anthranilate schiff's base
Trivial Name Methyl 2-[(3,7-dimethyl-6-octen-1-ylidene)amino]benzoate
Short Description citronama (IFF)
Formula C18 H25 N O2
CAS Number 67845-42-5
ECHA Number 267-312-9
FDA UNII 686JW1W8W0
Nikkaji Number J287.479B
xLogP3-AA 4.60 (est)
NMR Predictor External link
Synonyms
  • 2-amino-N-(3,7-dimethyl-6-octenylidene) benzoic acid methyl ester
  • 2-amino-N-(3,7-dimethyl-6-octenylidene)benzoic acid, methyl ester
  • anthranilic acid, N-citronellylidene-, methyl ester
  • benzoic acid, 2-((3,7-dimethyl-6-octen-1-ylidene)amino)-, methyl ester
  • benzoic acid, 2-((3,7-dimethyl-6-octenylidene)amino)-, methyl ester
  • benzoic acid, 2-(3,7-dimethyl-6-octenylideneamino)-, methyl ester
  • citronama (IFF)
  • citronellal methyl anthranilate
  • citronellal-methyl anthranilate
  • methyl 2-((3,7-dimethyl-6-octenylidene)amino) benzoate
  • methyl 2-((3,7-dimethyl-6-octenylidene)amino)benzoate
  • methyl 2-(3,7-dimethyloct-6-enylideneamino)benzoate
  • methyl 2-{[(1E)-3,7-dimethyloct-6-en-1-ylidene]amino}benzoate
  • methyl anthranilate / citronellal
  • methyl anthranilate / citronellal schiff base
  • methyl anthranilate / citronellal schiff's base
  • methyl dimethyl octenylidene aminobenzoate
  • schiff's base citronama
  • Benzoic acid, 2-[(3,7-dimethyl-6-octen-1-ylidene)amino]-, methyl ester
  • Benzoic acid, 2-[(3,7-dimethyl-6-octenylidene)amino]-, methyl ester
  • Methyl 2-[(3,7-dimethyl-6-octen-1-ylidene)amino]benzoate

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

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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 287.40264892578
Specific gravity @ 25 °C
Pounds per Gallon 8.367 to 8.433
Refractive Index 1.5125 to 1.5225 @ 20 °C
Boiling Point 408 to 409°C @ 760 mm Hg
Flash Point TCC Value 93.33 °C TCC
logP (o/w) 7.08 est
Shelf life 24 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
water, 0.2826 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Citrus
fresh, citrus, weedy, grassy, sharp, woody
Odor strength medium , recommend smelling in a 10.00 % solution or less
Substantivity 400 hour(s) at 100.00 %
General comment At 10.00 % in dipropylene glycol. fresh citrus weedy grassy sharp woody

Potential Uses

Applications
Odor purposes Lily of the valley , Palmarosa oil replacer
Cosmetic purposes Perfuming agents

Safety Information

Safety information

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
Recommendation for citronellal / methyl anthranilate schiff's base usage levels up to:
2.0000 % in the fragrance concentrate.
Recommendation for citronellal / 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):67845-42-5
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :106871
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
methyl 2-(3,7-dimethyloct-6-enylideneamino)benzoate
Chemidplus:0067845425