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

isofreshal
isopropyl methyl bicyclooctene-2-carbaldehyde

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Fragrance Demo Formulas
CAS Number: 68259-31-4Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:269-522-6
XlogP3-AA:2.20 (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:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 269.00 to 271.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure:0.007000 mm/Hg @ 25.00 °C. (est)
Flash Point: 202.00 °F. TCC ( 94.60 °C. ) (est)
logP (o/w): 3.821 (est)
Soluble in:
 alcohol
 water, 10.74 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: aldehydic
Odor Strength:medium
aldehydic fatty green metallic
Odor Description:at 100.00 %. aldehydic fatty green metallic
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
Creatingperfume.com
isoFreshal (Innospec)
Odor: Aldehydic, Aldehyde, Fatty, Green, Metallic, Metal
Taytonn
isoFreshal
Odor: Aldehydic/ Aldehyde, Fatty, Green, Metallic/ Metal
The John D. Walsh Company
isoFreshal
 
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 isofreshal flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
EPA Substance Registry Services (TSCA):68259-31-4
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :109261
National Institute of Allergy and Infectious Diseases:Data
8-methyl-2-propan-2-ylbicyclo[2.2.2]oct-4(8)-ene-6-carbaldehyde
Chemidplus:0068259314
 
References:
 8-methyl-2-propan-2-ylbicyclo[2.2.2]oct-4(8)-ene-6-carbaldehyde
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:68259-31-4
Pubchem (cid):109261
Pubchem (sid):135065847
 
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
fresh carbaldehyde
FR
3-
methyl-4-(3-methly-3-methoxybutyl oxy) butyraldehyde
FR
3-
methyl-4-octyl oxybutyraldehyde
FR
octanal (aldehyde C-8)
FL/FR
octane nitrile
FR
balsamic
guaiyl acetate
FL/FR
citrus
4-
decenal
FL/FR
lime oil fractions
FR
octanal glycol acetal
FR
2-
tetradecenal
FL/FR
fatty
3-
decen-2-one
FL/FR
(E,Z)-2,6-
dodecadienal
FL/FR
methyl 2-hexenoate
FL/FR
6-
methyl-5-hepten-2-one propylene glycol acetal
FL/FR
(E)-2-
nonenal
FL/FR
2-
nonenal
FL/FR
2-
octenal
FL/FR
(S)-gamma-
undecalactone
FL/FR
floral
cyclohexyl salicylate
FR
floral pyran
FR
hyacinth ether
FR
phenethyl butyl ether
FR
fruity
iso
amyl octanoate
FL/FR
ethyl 3-hexenoate
FL/FR
methyl 2-methyl butyrate
FL/FR
methyl 3-nonenoate
FL/FR
octen-1-yl cyclopentanone
FL/FR
(E)-2-
undecenal
FL/FR
green
cilantro leaf oil
FL/FR
green ether
FL/FR
heptanal (aldehyde C-7)
FL/FR
1-
hepten-3-ol
FL/FR
(Z)-4-
heptenal
FL/FR
2-
heptyl furan
FL/FR
hexanal (aldehyde C-6)
FL/FR
(Z)-3-
hexenal
FL/FR
(E)-2-
hexenal
FL/FR
alpha-
hexyl cinnamaldehyde dimethyl acetal
FR
(E,Z)-3,6-
nonadien-1-ol
FL/FR
(Z)-2-
nonen-1-ol
FL/FR
(E)-2-
nonen-1-ol
FL/FR
2-
nonene nitrile
FR
olive oil absolute
FL/FR
4-iso
propyl quinoline
FL/FR
herbal
7-
allyl benzo[b][1,4]dioxepin-3-one
FR
3-
octyl acetate
FL/FR
muguet
4-iso
butyl 1-(3-methoxy-2-propen-1-yl) benzene
FR
4-
ethyl 1-(3-methoxy-2-propen-1-yl) benzene
FR
4-
methyl 1-(3-methoxy-2-propen-1-yl) benzene
FR
4-
propyl 1-(3-methoxy-2-propen-1-yl) benzene
FR
soapy
methyl anthranilate / hexyl cinnamaldehyde schiff's base
FR
spicy
cumin seed absolute
FL/FR
sulfurous
cassis pentanone
FL/FR
3-(
methyl thio) hexanol
FL/FR
waxy
cyclododecyl acetate
FR
9-
decenoic acid
FL/FR
heptyl octanoate
FL/FR
2,4-
nonadien-1-ol
FL/FR
propyl decanoate
FL/FR
For Flavor
No flavor group found for these
4-
decenal
FL/FR
guaiyl acetate
FL/FR
methyl 2-hexenoate
FL/FR
6-
methyl-5-hepten-2-one propylene glycol acetal
FL/FR
2-
octenal
FL/FR
propyl decanoate
FL/FR
4-iso
propyl quinoline
FL/FR
2-
tetradecenal
FL/FR
(S)-gamma-
undecalactone
FL/FR
aldehydic
aldehydic
octanal (aldehyde C-8)
FL/FR
citrus
cilantro leaf oil
FL/FR
fatty
2-
heptyl furan
FL/FR
2,4-
nonadien-1-ol
FL/FR
(Z)-2-
nonen-1-ol
FL/FR
2-
nonenal
FL/FR
fruity
iso
amyl octanoate
FL/FR
ethyl 3-hexenoate
FL/FR
methyl 2-methyl butyrate
FL/FR
methyl 3-nonenoate
FL/FR
octen-1-yl cyclopentanone
FL/FR
green
cassis pentanone
FL/FR
3-
decen-2-one
FL/FR
(E,Z)-2,6-
dodecadienal
FL/FR
green ether
FL/FR
heptanal (aldehyde C-7)
FL/FR
1-
hepten-3-ol
FL/FR
(Z)-4-
heptenal
FL/FR
hexanal (aldehyde C-6)
FL/FR
(E)-2-
hexenal
FL/FR
(Z)-3-
hexenal
FL/FR
(E,Z)-3,6-
nonadien-1-ol
FL/FR
(E)-2-
nonen-1-ol
FL/FR
(E)-2-
nonenal
FL/FR
3-
octyl acetate
FL/FR
metallic
3-(
methyl thio) hexanol
FL/FR
oily
olive oil absolute
FL/FR
spicy
cumin seed absolute
FL/FR
waxy
9-
decenoic acid
FL/FR
heptyl octanoate
FL/FR
(E)-2-
undecenal
FL/FR
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
isofreshal
 lierral
8-methyl-2-propan-2-ylbicyclo[2.2.2]oct-4(8)-ene-6-carbaldehyde
5(or 6)-methyl-7(or 8)-(1-methyl ethyl) bicyclo(2.2.2)oct-5-ene-2-carbaldehyde
isopropyl methyl bicyclooctene-2-carbaldehyde
 

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