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exo-isocitral

Chemical Structure

General Material Information

Preferred name exo-isocitral
Trivial Name exo-Isocitral
Short Description verbenal (IFF)
Formula C10 H16 O
CAS Number 55050-40-3
ECHA Number 259-457-1
FDA UNII Search
Nikkaji Number J326.734B
xLogP3-AA 3.00 (est)
NMR Predictor External link
Synonyms
  • exo-iso citral
  • 7-methyl-3-methylene oct-6-enal
  • 7-methyl-3-methylene-6-octenal
  • 7-methyl-3-methyleneoct-6-enal
  • 7-methyl-3-methylideneoct-6-enal
  • 6-octenal, 7-methyl-3-methylene-
  • verbenal (IFF)
  • 7-methyl-3-methylideneoct-6-enal
  • 6-Octenal, 7-methyl-3-methylene-
  • 7-Methyl-3-methylene-6-octenal

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Suppliers

IFF

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 152.23672485352
Boiling Point 213 to 214°C @ 760 mm Hg
Vapor Pressure 0.152 mmHg @ 25 °C
Flash Point TCC Value 79.8 °C TCC
logP (o/w) 2.702 est
Solubility
alcohol Yes
water, 72.58 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Aldehydic
juicy, aldehydic, lemongrass, floral, lemon, bois de rose
General comment At 100.00 %. juicy aldehydic lemongrass floral lemon bois de rose

Occurrences

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:
flavor and fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice

Safety references

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):55050-40-3
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :108662
National Institute of Allergy and Infectious Diseases:Data
7-methyl-3-methylideneoct-6-enal
Chemidplus:0055050403