EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

1-formyl-3-isohexenyl-3-cyclohexene
empetal (Givaudan)

Supplier Sponsors

CAS Number: 52475-89-5Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:257-943-8
Nikkaji Web:J24.286A
XlogP3-AA:3.00 (est)
Molecular Weight:192.30160000
Formula:C13 H20 O
NMR Predictor:Predict (works with chrome or firefox)
Category: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
 
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 mm/Hg @ 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
 
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).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
Ernesto Ventós
MYRAC ALDEHYDE
Givaudan
Empetal
IFF
Myrac Aldehyde
 
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
 
Recommendation for 1-formyl-3-isohexenyl-3-cyclohexene flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
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
 
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
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (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
 
Potential Blenders and core components note
For Odor
aldehydic
2,3-
dihydro-1,1-1H-dimethyl-indene-ar-propanal
FR
N/i-
tridecanal
FR
citrus
citrus reticulata blanco var. tangerine oil
FL/FR
curacao specialty
FR
octanal glycol acetal
FR
bitter
orange peel oil terpeneless
FL/FR
tangerine oil america
FL/FR
tangerine oil california
FL/FR
10-
undecen-1-ol
FL/FR
clean
amerinal
FR
floral
muguet carbinol
FL/FR
fresh
fresh & clean fragrance
FR
green
3-
propyl bicyclo(3.2.1)-6-octen-2-one
FR
herbal
rosemary specialty
FR
marine
ozone propanal
FR
melon
melon heptenal
FL/FR
waxy
decanal diethyl acetal
FL/FR
methyl octanoate
FL/FR
octanol
FL/FR
woody
woody heptene
FR
For Flavor
No flavor group found for these
10-
undecen-1-ol
FL/FR
citrus
citrus
citrus reticulata blanco var. tangerine oil
FL/FR
bitter
orange peel oil terpeneless
FL/FR
tangerine oil america
FL/FR
tangerine oil california
FL/FR
floral
muguet carbinol
FL/FR
green
melon heptenal
FL/FR
methyl octanoate
FL/FR
waxy
decanal diethyl acetal
FL/FR
octanol
FL/FR
 
Potential Uses:
FRaldehydic
 citrus
 herbal
 
Occurrence (nature, food, other):note
 not found in nature
 
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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Notes:
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