3,5,6-neocyclocitral
3-cyclohexene-1-carboxaldehyde, 3,5,6-trimethyl-
 
Notes:
None found
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      Product(s):
      14-11050 neoCYCLOCITRAL
       
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3,5,6-trimethylcyclohex-3-ene-1-carbaldehyde (Click)
CAS Number: 67634-07-5Picture of molecule
ECHA EINECS - REACH Pre-Reg: 266-810-3
FDA UNII: 38HRF2I56T
Nikkaji Web: J68.879G
XlogP3-AA: 1.90 (est)
Molecular Weight: 152.23672000
Formula: C10 H16 O
NMR Predictor: Predict (works with chrome or firefox)
Category: fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar: Search
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US Patents: Search
EU Patents: Search
IBM Patents: Obtain
Pubchem Patents: Search
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 98.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.85800 to 0.86300 @  25.00 °C.
Pounds per Gallon - (est).: 7.139 to  7.181
Refractive Index: 1.43100 to 1.43600 @  20.00 °C.
Boiling Point: 201.00 to  202.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.291000 mm/Hg @ 25.00 °C. (est)
Flash Point: 152.00 °F. TCC ( 66.67 °C. )
logP (o/w): 3.034 (est)
Soluble in:
 alcohol
 water, 119.3 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
Odor Type: green
Odor Strength: medium
 fresh  green  leafy  clean  herbal  chrysanthemum  
Odor Description:
at 100.00 %. 
fresh green leafy clean herbal chrysanthemum
Luebke, William tgsc, (1986)
Substantivity: 4 Hour(s)
  
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
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Suppliers:
Penta International
neoCYCLOCITRAL
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Safety Information:
European information :
Most important hazard(s):
Xi - Irritant
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.
 
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
IFRA Critical Effect: Sensitization
IFRA: View Standard
Fragrance usage is IFRA RESTRICTED. View Standard for complete information.
Please review all IFRA documents for complete information.
IFRA categories: limits in the finished product: (For a description of the categories, refer to the IFRA QRA Information Booklet.)
Category 1:
See Note (1)
0.20 % (1)
Category 2:  0.30 %
Category 3:  1.10 %
Category 4:  3.20 %
Category 5:  1.70 %
Category 6:  5.10 % (1)
Category 7:  0.50 %
Category 8:  2.00 %
Category 9:  5.00 %
Category 10:  2.50 %
Category 11: See Note (2)
 Notes:
 

(1) IFRA would recommend that any material used to impart perfume or flavour in products intended for human ingestion should consist of ingredients that are in compliance with appropriate regulations for foods and food flavourings in the countries of planned distribution and, where these are lacking, with the recommendations laid down in the Code of Practice of IOFI (International Organisation of the Flavor Industry). Further information about IOFI can be found on its website (www.iofi.org).

 

(2) Category 11 includes all non-skin contact or incidental skin contact products. Due to the negligible skin contact from these types of products there is no justification for a restriction of the concentration of this fragrance ingredient in the finished product.

 
Recommendation for 3,5,6-neocyclocitral flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System: View
EPA Substance Registry Services (TSCA): 67634-07-5
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 106735
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 2
 3,5,6-trimethylcyclohex-3-ene-1-carbaldehyde
Chemidplus: 0067634075
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References:
 3,5,6-trimethylcyclohex-3-ene-1-carbaldehyde
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 67634-07-5
Pubchem (cid): 106735
Pubchem (sid): 135064595
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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
Export Tariff Code: 2912.29.60
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
aldehydic
 adoxal (Givaudan)FL/FR
 citrus carbaldehydeFR
 decanal (aldehyde C-10)FL/FR
9-decenalFL/FR
2-methyl undecanal (aldehyde C-12 mna)FL/FR
 nonanal (aldehyde C-9)FL/FR
 octanal (aldehyde C-8)FL/FR
10-undecenal (aldehyde C-11 undecylenic)FL/FR
amber
 angelica root oilFL/FR
balsamic
2-acetyl furanFL/FR
isoamyl benzoateFL/FR
 benzyl benzoateFL/FR
 benzyl salicylateFL/FR
laevo-bornyl acetateFL/FR
isobornyl acetateFL/FR
 cinnamyl alcoholFL/FR
 clover nitrileFR
 ethyl cinnamateFL/FR
 fir needle oil siberiaFL/FR
citrus
 bergamot oil bergaptene reduced italyFL/FR
 citralFL/FR
 dihydromyrcenolFL/FR
 grapefruit oil c.p. californiaFL/FR
 grapefruit pentanolFR
 lemon oil c.p. californiaFL/FR
 lemongrass oilFL/FR
 lime oil distilled mexicoFL/FR
 litsea cubeba fruit oilFL/FR
 methyl heptenoneFL/FR
blood orange oil italyFL/FR
sweet orange peel oil c.p. brazilFL/FR
 tetrahydromyrcenolFR
earthy
 methyl undecylenateFL/FR
fatty
(E,Z)-2,6-dodecadienalFL/FR
floral
isoamyl salicylateFL/FR
 benzyl acetateFL/FR
 benzyl alcoholFL/FR
 benzyl isobutyrateFL/FR
 bois de rose oil brazilFL/FR
isobutyl salicylateFL/FR
 citronellyl acetateFL/FR
 coriander seed oilFL/FR
 cyclamen aldehydeFL/FR
 cyclohexyl ethyl alcoholFL/FR
 dimethyl benzyl carbinolFL/FR
 floral pyranolFR
 gardenia oxideFR
 geraniolFL/FR
 geranyl acetateFL/FR
 heliotropyl diethyl acetalFR
(Z)-3-hexen-1-yl salicylateFL/FR
alpha-hexyl cinnamaldehydeFL/FR
 ho leaf oilFR
 hyacinth etherFR
 leerallFR
 linaloolFL/FR
laevo-linaloolFL/FR
 linalool oxideFL/FR
 methyl dihydrojasmonateFL/FR
 mimosa absolute franceFL/FR
 muguet carboxaldehydeFR
 muguet octadienolFR
 nerolFL/FR
 nerolidolFL/FR
 neryl acetateFL/FR
 ocean propanalFL/FR
 orris pyridine 25% IPMFR
 peony alcoholFR
 petitgrain oil paraguayFL/FR
 phenethyl acetateFL/FR
 phenethyl alcoholFL/FR
 rhodinolFL/FR
 rose butanoateFL/FR
 tetrahydrolinaloolFL/FR
 violet methyl carbonateFR
fruity
 allyl amyl glycolateFR
 allyl cyclohexyl propionateFL/FR
 allyl hexanoateFL/FR
bitter almond oilFL/FR
isoamyl acetateFL/FR
 benzaldehydeFL/FR
 benzyl propionateFL/FR
 diethyl malonateFL/FR
 green acetateFR
 hexyl acetateFL/FR
 methyl 2-methyl valerateFL/FR
 strawberry glycidate 1 (aldehyde C-16 (so-called))FL/FR
gamma-undecalactone (aldehyde C-14 (so-called))FL/FR
green
 acetaldehyde ethyl phenethyl acetalFL/FR
 galbanum oilFL/FR
(Z)-3-hexen-1-olFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl benzoateFL/FR
(Z)-3-hexen-1-yl formateFL/FR
(Z)-3-hexen-1-yl tiglateFL/FR
 hexyl 2-methyl butyrateFL/FR
 hexyl tiglateFL/FR
2,4-ivy carbaldehydeFL/FR
(Z)-leaf acetalFL/FR
 melon nonenoateFL/FR
(E,Z)-2,6-nonadien-1-olFL/FR
(E,Z)-2,6-nonadienalFL/FR
 phenyl acetaldehydeFL/FR
3-phenyl propionaldehydeFL/FR
 styralyl acetateFL/FR
 violet leaf absoluteFL/FR
herbal
 anthemis nobilis flower oil romanFL/FR
 clary sage oil franceFL/FR
 daucus carota fruit oilFL/FR
 eucalyptus globulus oilFL/FR
 herbal undecanoneFR
 lavender absolute bulgariaFL/FR
 linalyl acetateFL/FR
 nopyl acetateFR
alpha-terpinyl acetateFL/FR
 valerian rhizome oilFL/FR
marine
 marine pyridineFR
melon
 melon heptenalFL/FR
 watermelon ketoneFR
phenolic
 methyl benzoateFL/FR
powdery
para-anisyl acetateFL/FR
terpenic
 frankincense oilFL/FR
 juniperus communis fruit oilFL/FR
alpha-terpineolFL/FR
thujonic
 thuja occidentalis leaf oilFL/FR
waxy
 ethyl laurateFL/FR
woody
 amber carbinolFR
 patchouli ethanoneFR
 spruce needle oil canadaFL/FR
 vetiver oil haitiFL/FR
 woody acetateFR
(Z)-woody amyleneFR
 woody propanolFR
 
For Flavor
 
No flavor group found for these
 adoxal (Givaudan)FL/FR
laevo-bornyl acetateFL/FR
9-decenalFL/FR
 dimethyl benzyl carbinolFL/FR
2,4-ivy carbaldehydeFL/FR
laevo-linaloolFL/FR
 methyl undecylenateFL/FR
 thuja occidentalis leaf oilFL/FR
aldehydic
 nonanal (aldehyde C-9)FL/FR
 octanal (aldehyde C-8)FL/FR
balsamic
 benzyl benzoateFL/FR
 benzyl salicylateFL/FR
 ethyl cinnamateFL/FR
 fir needle oil siberiaFL/FR
citrus
 bergamot oil bergaptene reduced italyFL/FR
 citralFL/FR
 grapefruit oil c.p. californiaFL/FR
 lemon oil c.p. californiaFL/FR
 lemongrass oilFL/FR
 lime oil distilled mexicoFL/FR
 linaloolFL/FR
 litsea cubeba fruit oilFL/FR
 nerolFL/FR
blood orange oil italyFL/FR
sweet orange peel oil c.p. brazilFL/FR
 petitgrain oil paraguayFL/FR
alpha-terpineolFL/FR
cooling
isobutyl salicylateFL/FR
creamy
gamma-undecalactone (aldehyde C-14 (so-called))FL/FR
fatty
(Z)-3-hexen-1-yl benzoateFL/FR
10-undecenal (aldehyde C-11 undecylenic)FL/FR
floral
 bois de rose oil brazilFL/FR
 citronellyl acetateFL/FR
 geraniolFL/FR
 linalyl acetateFL/FR
 methyl dihydrojasmonateFL/FR
 neryl acetateFL/FR
 ocean propanalFL/FR
 phenethyl alcoholFL/FR
 rhodinolFL/FR
 tetrahydrolinaloolFL/FR
fruity
 allyl cyclohexyl propionateFL/FR
 allyl hexanoateFL/FR
bitter almond oilFL/FR
isoamyl acetateFL/FR
isoamyl benzoateFL/FR
para-anisyl acetateFL/FR
 benzaldehydeFL/FR
 benzyl acetateFL/FR
 benzyl alcoholFL/FR
 benzyl isobutyrateFL/FR
 benzyl propionateFL/FR
 diethyl malonateFL/FR
 hexyl acetateFL/FR
 methyl 2-methyl valerateFL/FR
 rose butanoateFL/FR
 strawberry glycidate 1 (aldehyde C-16 (so-called))FL/FR
 styralyl acetateFL/FR
 valerian rhizome oilFL/FR
green
 acetaldehyde ethyl phenethyl acetalFL/FR
isoamyl salicylateFL/FR
 angelica root oilFL/FR
 cinnamyl alcoholFL/FR
 cyclamen aldehydeFL/FR
 cyclohexyl ethyl alcoholFL/FR
 dihydromyrcenolFL/FR
(E,Z)-2,6-dodecadienalFL/FR
 galbanum oilFL/FR
 geranyl acetateFL/FR
(Z)-3-hexen-1-olFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl formateFL/FR
(Z)-3-hexen-1-yl salicylateFL/FR
(Z)-3-hexen-1-yl tiglateFL/FR
 hexyl 2-methyl butyrateFL/FR
 hexyl tiglateFL/FR
(Z)-leaf acetalFL/FR
 linalool oxideFL/FR
 melon heptenalFL/FR
 melon nonenoateFL/FR
 methyl heptenoneFL/FR
 nerolidolFL/FR
(E,Z)-2,6-nonadien-1-olFL/FR
(E,Z)-2,6-nonadienalFL/FR
3-phenyl propionaldehydeFL/FR
 violet leaf absoluteFL/FR
herbal
 anthemis nobilis flower oil romanFL/FR
 clary sage oil franceFL/FR
 coriander seed oilFL/FR
 daucus carota fruit oilFL/FR
 eucalyptus globulus oilFL/FR
 lavender absolute bulgariaFL/FR
honey
 phenethyl acetateFL/FR
 phenyl acetaldehydeFL/FR
nutty
2-acetyl furanFL/FR
phenolic
 methyl benzoateFL/FR
terpenic
 juniperus communis fruit oilFL/FR
waxy
 decanal (aldehyde C-10)FL/FR
 ethyl laurateFL/FR
alpha-hexyl cinnamaldehydeFL/FR
2-methyl undecanal (aldehyde C-12 mna)FL/FR
 mimosa absolute franceFL/FR
woody
isobornyl acetateFL/FR
 frankincense oilFL/FR
 spruce needle oil canadaFL/FR
alpha-terpinyl acetateFL/FR
 vetiver oil haitiFL/FR
 
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Potential Uses:
 agate 
 agrumen 
 aldehydicFR
 alpine bouquet 
 amaryllis 
 apple crabapple 
 apple greenFR
 ash mountain ash 
 balsamFR
 bark 
 bean 
 bergamotFR
 blossom tropical blossom 
 boxwood 
 boxwood blossom 
 cajuputFL/FR
 calamusFR
 cedar forestFR
 celeryFL/FR
 cherry wild cherry 
 christmas blendsFR
 chrysanthemum chrysanthemeFR
 chypreFR
 cilantroFL/FR
 citrusFR
 clean 
 clematisFR
 cloudberry bakeapple 
 cognacFR
 cologneFR
 cortex 
 cranberryFR
 daffodil narcissusFR
 diffusion 
 earth humusFR
 enhancer 
 ethereal 
 evergreenFR
 fantasy blends 
 fern fougereFR
 figFR
 fir balsamFR
 fir needle pine needleFL/FR
 floralFR
 flouveFR
 flower shopFR
 foliage 
 genet genista broomFR
 ginger whiteFR
 grass 
 greenFR
 heatherFR
 herbalFR
 hyacinth jacintheFR
 hydrangeaFR
 ivyFR
 jonquil narcissus jonquillaFR
 kewda 
 leaf 
 autumnFR
 lemonFR
 lemongrassFR
 limeFR
 lotusFR
 meadow countryFR
 millefleurs 
 mintFR
 narcissus narcisseFR
 natural 
 nut 
 ocean sea 
 orris irisFR
 outdoors freshFR
 pansyFR
 pear prickly pear 
 peonyFR
 pepper tabasco pepper 
 petitgrain limeFL/FR
 petuniaFR
 pineFR
 pineappleFR
 privet 
 privet blossom 
 rainFR
 reseda mignonetteFR
 rhubarbFR
 roseFR
 rose wild rose 
 saffronFR
 stem 
 sweet peaFR
 tea 
 tomato 
 topnotes 
 tulipFR
 verbenaFR
 vika cologne 
 vine 
 violetFR
 wasabi 
 watercress nasturtium 
 weedy 
 yewFR
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
3,5,6-neocyclocitral
meta-cyclocitral
3-cyclohexene-1-carboxaldehyde, 3,5,6-trimethyl-
3,5,6-trimethyl cyclohex-3-ene-1-carbaldehyde
 trimethyl cyclohexene carbaldehyde
3,5,6-trimethyl-3-cyclohexene-1-carboxaldehyde
3,5,6-trimethylcyclohex-3-ene-1-carbaldehyde
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Articles:
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