3,5,6-neocyclocitral
3-cyclohexene-1-carboxaldehyde, 3,5,6-trimethyl-
 
Notes:
None found
  • Penta International
    • Penta International Corporation
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      Product(s):
      14-11050 NEOCYCLOCITRAL
       
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CAS Number: 67634-07-5Picture of molecule3D/inchi
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
Google Books: Search
Google Scholar: with word "volatile"Search
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Google Patents: Search
US Patents: Search
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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 mmHg @ 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
 
Substantivity: 4 hour(s) at 100.00 %
 
 fresh  green  leafy  clean  herbal  chrysanthemum  
Odor Description:
at 100.00 %. 
fresh green leafy clean herbal chrysanthemum
Luebke, William tgsc, (1986)
 
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:
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 Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
IFRA Critical Effect: Dermal sensitization
IFRA: View Standard
View IFRA Standards Library for complete information.
Please review Amendment 49 IFRA documentation for complete information.
IFRA RESTRICTION LIMITS IN THE FINISHED PRODUCT (%):
Category 1: Products applied to the lips
0.54 %
Category 2: Products applied to the axillae
0.16 %
Category 3: Products applied to the face/body using fingertips
3.20 %
Category 4: Products related to fine fragrance
3.00 %
 Category 5: Products applied to the face and body using the hands (palms), primarily leave-on
Category 5A: Body lotion products applied to the body using the hands (palms), primarily leave-on
0.76 %
Category 5B: Face moisturizer products applied to the face using the hands (palms), primarily leave-on
0.76 %
Category 5C: Hand cream products applied to the hands using the hands (palms), primarily leave-on
0.76 %
Category 5D: Baby Creams, baby Oils and baby talc
0.76 %
Category 6: Products with oral and lip exposure
1.80 %
 Category 7: Products applied to the hair with some hand contact
Category 7A: Rinse-off products applied to the hair with some hand contact
6.10 %
Category 7B: Leave-on products applied to the hair with some hand contact
6.10 %
Category 8: Products with significant anogenital exposure
0.32 %
Category 9: Products with body and hand exposure, primarily rinse off
5.90 %
 Category 10: Household care products with mostly hand contact
Category 10A: Household care excluding aerosol products (excluding aerosol/spray products)
21.00 %
Category 10B: Household aerosol/spray products
21.00 %
 Category 11: Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate
Category 11A: Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
12.00 %
Category 11B: Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
12.00 %
Category 12: Products not intended for direct skin contact, minimal or insignificant transfer to skin
No Restriction
 Notes:
IFRA FLAVOR REQUIREMENTS:

Due to the possible ingestion of small amounts of fragrance ingredients from their use in products in Categories 1 and 6, materials must not only comply with IFRA Standards but must also be recognized as safe as a flavoring ingredient as defined by the IOFI Code of Practice (www.iofi.org). For more details see chapter 1 of the Guidance for the use of IFRA Standards.

 
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
isobornyl acetateFL/FR
laevo-bornyl acetateFL/FR
 cinnamyl alcoholFL/FR
 clover nitrileFR
 ethyl cinnamateFL/FR
 fir needle oil siberiaFL/FR
citrus
 bergamot oil bergaptene reduced italyFL/FR
 citralFL/FR
(S)-(-)-citronellalFL/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
 neroli ketoneFR
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
 allyl anthranilateFL/FR
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
 geranium pyranFR
 geranium specialtyFR
 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
2-hexen-1-olFL/FR
(E)-2-hexen-1-olFL/FR
 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 butyl phenethyl acetalFL/FR
 acetaldehyde di-(Z)-3-hexen-1-yl acetalFL/FR
 acetaldehyde dipropyl acetalFL/FR
 acetaldehyde ethyl phenethyl acetalFL/FR
 galbanum oilFL/FR
1-heptanolFL/FR
 heptyl cinnamateFL/FR
(Z)-2-hexen-1-olFL/FR
(Z)-3-hexen-1-olFL/FR
(Z)-3-hexen-1-yl (E)-crotonateFL/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 lactateFL/FR
(Z)-3-hexen-1-yl methyl carbonateFL/FR
(Z)-3-hexen-1-yl tiglateFL/FR
3-hexenalFL/FR
 hexoxyacetaldehyde dimethyl acetalFR
 hexyl 2-methyl butyrateFL/FR
 hexyl heptanoateFL/FR
 hexyl tiglateFL/FR
2,4-ivy carbaldehydeFL/FR
 lawsonia inermis leaf oil CO2 extractFR
(Z)-leaf acetalFL/FR
 melon nonenoateFL/FR
 methyl heptine carbonateFL/FR
(E,Z)-2,6-nonadien-1-olFL/FR
(E,Z)-2,6-nonadien-1-yl acetateFL/FR
(E,Z)-2,6-nonadienalFL/FR
(Z)-5-octen-1-yl propionateFL/FR
 phenyl acetaldehydeFL/FR
3-phenyl propionaldehydeFL/FR
isopropyl phenyl propionaldehydeFR
 rosa damascena leaf absoluteFR
 rosacyanthinFR
 rose leaf absolute (rosa centifolia)FL/FR
 styralyl acetateFL/FR
 violet leaf absoluteFL/FR
 violet leaf oil (viola odorata)FL/FR
herbal
 anthemis nobilis flower oil romanFL/FR
sweet basil absoluteFL/FR
 buchu oximeFR
 clary sage oil franceFL/FR
 daucus carota fruit oilFL/FR
 eucalyptus globulus oilFL/FR
 herbal heptaneFR
 herbal undecanoneFR
 lavender absolute bulgariaFL/FR
 linalyl acetateFL/FR
 lovage tinctureFL/FR
 nopyl acetateFR
alpha-terpinyl acetateFL/FR
 valerian rhizome oilFL/FR
marine
 marine pyridineFR
melon
 melon heptenalFL/FR
 watermelon ketoneFR
minty
 peppermint absoluteFL/FR
isopulegyl formateFL/FR
phenolic
 methyl benzoateFL/FR
powdery
para-anisyl acetateFL/FR
sulfurous
3-(methyl thio) hexanolFL/FR
terpenic
 frankincense oilFL/FR
 juniperus communis fruit oilFL/FR
alpha-terpineolFL/FR
tropical
beta-cyclocitralFL/FR
waxy
 ethyl laurateFL/FR
 methyl butyl phenyl acetateFL/FR
woody
 amber carbinolFR
 patchouli ethanoneFR
 spruce needle oil canadaFL/FR
 thuja occidentalis leaf oilFL/FR
 vetiver oil haitiFL/FR
 woody acetateFR
(Z)-woody amyleneFR
 woody propanolFR
 
For Flavor
 
No flavor group found for these
 acetaldehyde di-(Z)-3-hexen-1-yl acetalFL/FR
 allyl anthranilateFL/FR
(S)-(-)-citronellalFL/FR
9-decenalFL/FR
 heptyl cinnamateFL/FR
(Z)-3-hexen-1-yl (E)-crotonateFL/FR
 hexyl heptanoateFL/FR
isopulegyl formateFL/FR
aldehydic
 nonanal (aldehyde C-9)FL/FR
 octanal (aldehyde C-8)FL/FR
apple
(E,Z)-2,6-nonadien-1-olFL/FR
balsamic
 benzyl benzoateFL/FR
 benzyl salicylateFL/FR
laevo-bornyl acetateFL/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
laevo-linaloolFL/FR
 linaloolFL/FR
 litsea cubeba fruit oilFL/FR
 nerolFL/FR
blood orange oil italyFL/FR
sweet orange peel oil c.p. brazilFL/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
2-hexen-1-olFL/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 butyl phenethyl acetalFL/FR
 acetaldehyde dipropyl acetalFL/FR
 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)-2-hexen-1-olFL/FR
(E)-2-hexen-1-olFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl formateFL/FR
(Z)-3-hexen-1-yl lactateFL/FR
(Z)-3-hexen-1-yl methyl carbonateFL/FR
(Z)-3-hexen-1-yl salicylateFL/FR
(Z)-3-hexen-1-yl tiglateFL/FR
3-hexenalFL/FR
 hexyl 2-methyl butyrateFL/FR
 hexyl tiglateFL/FR
2,4-ivy carbaldehydeFL/FR
(Z)-leaf acetalFL/FR
 linalool oxideFL/FR
 melon heptenalFL/FR
 melon nonenoateFL/FR
 methyl heptenoneFL/FR
 methyl heptine carbonateFL/FR
 nerolidolFL/FR
(E,Z)-2,6-nonadien-1-yl acetateFL/FR
(E,Z)-2,6-nonadienalFL/FR
(Z)-5-octen-1-yl propionateFL/FR
3-phenyl propionaldehydeFL/FR
 rose leaf absolute (rosa centifolia)FL/FR
 violet leaf absoluteFL/FR
 violet leaf oil (viola odorata)FL/FR
herbal
 anthemis nobilis flower oil romanFL/FR
sweet basil absoluteFL/FR
 clary sage oil franceFL/FR
 coriander seed oilFL/FR
 daucus carota fruit oilFL/FR
 eucalyptus globulus oilFL/FR
 lavender absolute bulgariaFL/FR
 lovage tinctureFL/FR
 petitgrain oil paraguayFL/FR
honey
 phenethyl acetateFL/FR
 phenyl acetaldehydeFL/FR
leafy
 methyl butyl phenyl acetateFL/FR
medicinal
 dimethyl benzyl carbinolFL/FR
metallic
3-(methyl thio) hexanolFL/FR
minty
 peppermint absoluteFL/FR
nutty
2-acetyl furanFL/FR
phenolic
 methyl benzoateFL/FR
solvent
1-heptanolFL/FR
terpenic
 juniperus communis fruit oilFL/FR
tropical
beta-cyclocitralFL/FR
waxy
 adoxal (Givaudan)FL/FR
 decanal (aldehyde C-10)FL/FR
 ethyl laurateFL/FR
alpha-hexyl cinnamaldehydeFL/FR
2-methyl undecanal (aldehyde C-12 mna)FL/FR
 methyl undecylenateFL/FR
 mimosa absolute franceFL/FR
woody
isobornyl acetateFL/FR
 frankincense oilFL/FR
 spruce needle oil canadaFL/FR
alpha-terpinyl acetateFL/FR
 thuja occidentalis leaf oilFL/FR
 vetiver oil haitiFL/FR
 
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Potential Uses:
 agateFR
 agrumen aldehydeFR
 aldehydicFR
 alpine bouquetFR
 amaryllisFR
 crabappleFR
 apple green appleFR
 ash mountain ashFR
 autumnFR
 balsamFR
 barkFR
 bergamotFR
 blossom tropical blossom 
 boxwoodFR
 boxwood blossomFR
 cajeputFL/FR
 calamus oil replacerFR
 cedar forestFR
 celeryFR
 cherry wild cherryFL
 christmasFR
 chrysanthemumFR
 chypreFR
 cilantroFL/FR
 citrusFR
 clean 
 clematisFR
 cloudberry bakeappleFL
 cognacFR
 cologneFR
 cortexFR
 country meadowFR
 cranberryFR
 daffodilFR
 diffusion 
 earthFR
 enhancer 
 ethereal 
 evergreenFR
 fantasy blends 
 fernFR
 figFR
 fir balsamFR
 fir needle oil replacerFR
 floralFR
 flouveFR
 flower shopFR
 foliageFR
 fresh outdoorsFR
 genetFR
 ginger white gingerFR
 grass 
 greenFR
 heatherFR
 herbalFR
 hyacinthFR
 hydrangeaFR
 ivyFR
 jonquilFR
 kewdaFR
 leaf 
 lemonFR
 lemongrassFR
 limeFR
 lotusFR
 millefleursFR
 mintFR
 narcissusFR
 natural 
 nutFL
 ocean seaFR
 orrisFR
 pansyFR
 pear prickly pearFL
 peonyFR
 pepper tabasco pepperFL
 petitgrain lime petitgrainFL/FR
 petuniaFR
 pineFR
 pineappleFR
 privetFR
 privet blossomFR
 rainFR
 resedaFR
 rhubarbFR
 roseFR
 rose wild rose 
 saffronFR
 stem 
 sweet peaFR
 teaFL
 tomatoFL
 topnotes 
 tulipFR
 verbenaFR
 vika cologne 
 vine 
 violetFR
 wasabiFL
 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:
 None found yet.
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