1-formyl-3-isohexenyl-3-cyclohexene
empetal (Givaudan)
 
Notes:
None found
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CAS Number: 52475-89-5Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 257-943-8
FDA UNII: Search
Nikkaji Web: J24.286A
XlogP3-AA: 3.00 (est)
Molecular Weight: 192.30160000
Formula: C13 H20 O
NMR Predictor: Predict (works with chrome, Edge or firefox)
Category: fragrance agents
 
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Physical Properties:
Appearance: colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 273.00 to  274.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure: 0.006000 mmHg @ 25.00 °C. (est)
Flash Point: 205.00 °F. TCC ( 96.10 °C. ) (est)
logP (o/w): 3.633 (est)
Soluble in:
 alcohol
 water, 4.348 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor Type: aldehydic
 
Odor Strength: medium
 
Substantivity: > 48 hour(s) at 100.00 %
 
 aldehydic  orange  ozone  fruity  clean  fresh outdoors  
Odor Description:
at 100.00 %. 
aldehydic orange ozonic fruity clean outdoors
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
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Suppliers:
Ernesto Ventós
MYRAC ALDEHYDE
Givaudan
Empetal
IFF
Myrac Aldehyde
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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: 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 1-formyl-3-isohexenyl-3-cyclohexene flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System: View
AIDS Citations: Search
Cancer Citations: Search
Toxicology Citations: Search
EPA Substance Registry Services (TSCA): 52475-89-5
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 103649
National Institute of Allergy and Infectious Diseases: Data
 3-(4-methylpent-3-enyl)cyclohex-3-ene-1-carbaldehyde
Chemidplus: 0052475895
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References:
 3-(4-methylpent-3-enyl)cyclohex-3-ene-1-carbaldehyde
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 52475-89-5
Pubchem (cid): 103649
Pubchem (sid): 135060837
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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
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Potential Blenders and core components note
 
For Odor
aldehydic
2,3-dihydro-1,1-1H-dimethyl-indene-ar-propanalFR
N/i-tridecanalFR
citrus
 citrus reticulata blanco var. tangerine oilFL/FR
 curacao specialtyFR
 octanal glycol acetalFR
bitter orange peel oil terpenelessFL/FR
 tangerine oil americaFL/FR
 tangerine oil californiaFL/FR
10-undecen-1-olFL/FR
clean
 amerinalFR
floral
 muguet carbinolFL/FR
fresh
 fresh & clean fragranceFR
green
3-propyl bicyclo(3.2.1)-6-octen-2-oneFR
herbal
 rosemary specialtyFR
marine
 ozone propanalFR
melon
 melon heptenalFL/FR
waxy
 decanal diethyl acetalFL/FR
 methyl octanoateFL/FR
 octanolFL/FR
woody
 woody hepteneFR
 
For Flavor
 
No flavor group found for these
10-undecen-1-olFL/FR
citrus
 citrus reticulata blanco var. tangerine oilFL/FR
bitter orange peel oil terpenelessFL/FR
 tangerine oil americaFL/FR
 tangerine oil californiaFL/FR
floral
 muguet carbinolFL/FR
green
 melon heptenalFL/FR
 methyl octanoateFL/FR
waxy
 decanal diethyl acetalFL/FR
 octanolFL/FR
 
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Potential Uses:
 aldehydicFR
 citrusFR
 herbalFR
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
3-cyclohexene-1-carboxaldehyde, 3-(4-methyl-3-penten-1-yl)-
3-cyclohexene-1-carboxaldehyde, 3-(4-methyl-3-pentenyl)-
 empetal (Givaudan)
 methyl pentenyl cyclohexene carbaldehyde
3-(4-methyl-3-pentenyl) cyclohex-3-ene-1-carbaldehyde
3-(4-methyl-3-pentenyl)-3-cyclohexene-1-carboxaldehyde
3-(4-methyl-3-pentenyl)cyclohex-3-ene-1-carbaldehyde
3-(4-methylpent-3-en-1-yl)cyclohex-3-ene-1-carbaldehyde
3-(4-methylpent-3-enyl)cyclohex-3-ene-1-carbaldehyde
 methylpentenylcyclohexene carbaldehyde
 myrac aldehyde 1 (IFF)
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