exo-isocitral
verbenal (IFF)
 
Notes:
None found
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CAS Number: 55050-40-3Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 259-457-1
Nikkaji Web: J326.734B
XlogP3-AA: 3.00 (est)
Molecular Weight: 152.23672000
Formula: C10 H16 O
NMR Predictor: Predict (works with chrome or firefox)
Category: flavor and fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar: Search
Google Books: Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist: Search
Google Patents: Search
US Patents: Search
EU Patents: Search
Pubchem Patents: Search
PubMed: Search
NCBI: Search
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Physical Properties:
Appearance: colorless to yellow clear liquid (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 213.00 to  214.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure: 0.152000 mmHg @ 25.00 °C. (est)
Flash Point: 176.00 °F. TCC ( 79.80 °C. ) (est)
logP (o/w): 2.702 (est)
Soluble in:
 alcohol
 water, 72.58 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor Type: aldehydic
 
Odor Strength: medium
 
 juicy  aldehydic  lemongrass  floral  lemon  bois de rose  
Odor Description:
at 100.00 %. 
juicy aldehydic lemongrass floral lemon bois de rose
 
Odor and/or flavor descriptions from others (if found).
 
IFF
Verbenal
Odor Description: Intense juicy aldehydic lemon grass note with natural citronellol, citral and linalool facets
 
 
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
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Suppliers:
IFF
Verbenal
Odor: Intense juicy aldehydic lemon grass note with natural citronellol, citral and linalool facets
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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
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Safety in Use Information:
Category: flavor and fragrance agents
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
 
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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
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References:
 7-methyl-3-methylideneoct-6-enal
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 55050-40-3
Pubchem (cid): 108662
Pubchem (sid): 135065954
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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
Typical G.C.
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
citrus
 aldehydic nitrileFR
 citral ethylene glycol acetalFR
citrus floral fragranceFR
 geranyl nitrileCS
 litsea cubeba fruit oilFL/FR
 orange carbonylsFL/FR
 orange essence oil foldedFL/FR
 
For Flavor
 
No flavor group found for these
4-mercapto-4-methyl-2-pentanolFL
citrus
 litsea cubeba fruit oilFL/FR
 orange carbonylsFL/FR
 orange essence oil foldedFL/FR
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 backhousia citriodora f. muell. leaf oil @ 0.10%
Data  GC  Search Trop  Picture
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Synonyms:
exo-isocitral
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)
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