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

3,5,6-neocyclocitral
3-cyclohexene-1-carboxaldehyde, 3,5,6-trimethyl-

Sponsors

Name:3,5,6-trimethylcyclohex-3-ene-1-carbaldehyde
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
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 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
 
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 sample from: Harrmann & Reimer Corporation
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
Penta International
neoCYCLOCITRAL
 
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
 
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.
 
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
 
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
 
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
 
Potential Blenders and core components note
For Odor
aldehydic
adoxal (Givaudan)
FL/FR
citrus carbaldehyde
FR
decanal (aldehyde C-10)
FL/FR
9-
decenal
FL/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 oil
FL/FR
balsamic
2-
acetyl furan
FL/FR
iso
amyl benzoate
FL/FR
benzyl benzoate
FL/FR
benzyl salicylate
FL/FR
iso
bornyl acetate
FL/FR
laevo-
bornyl acetate
FL/FR
cinnamyl alcohol
FL/FR
clover nitrile
FR
ethyl cinnamate
FL/FR
fir needle oil siberia
FL/FR
citrus
bergamot oil bergaptene reduced italy
FL/FR
citral
FL/FR
(S)-(-)-
citronellal
FL/FR
dihydromyrcenol
FL/FR
grapefruit oil c.p. california
FL/FR
grapefruit pentanol
FR
lemon oil c.p. california
FL/FR
lemongrass oil
FL/FR
lime oil distilled mexico
FL/FR
litsea cubeba fruit oil
FL/FR
methyl heptenone
FL/FR
neroli ketone
FR
blood
orange oil italy
FL/FR
sweet
orange peel oil c.p. brazil
FL/FR
tetrahydromyrcenol
FR
earthy
methyl undecylenate
FL/FR
fatty
(E,Z)-2,6-
dodecadienal
FL/FR
floral
allyl anthranilate
FL/FR
iso
amyl salicylate
FL/FR
benzyl acetate
FL/FR
benzyl alcohol
FL/FR
benzyl isobutyrate
FL/FR
bois de rose oil brazil
FL/FR
iso
butyl salicylate
FL/FR
citronellyl acetate
FL/FR
coriander seed oil
FL/FR
cyclamen aldehyde
FL/FR
cyclohexyl ethyl alcohol
FL/FR
dimethyl benzyl carbinol
FL/FR
floral pyranol
FR
gardenia oxide
FR
geraniol
FL/FR
geranium pyran
FR
geranium specialty
FR
geranyl acetate
FL/FR
heliotropyl diethyl acetal
FR
(Z)-3-
hexen-1-yl salicylate
FL/FR
alpha-
hexyl cinnamaldehyde
FL/FR
ho leaf oil
FR
hyacinth ether
FR
leerall
FR
linalool
FL/FR
laevo-
linalool
FL/FR
linalool oxide
FL/FR
methyl dihydrojasmonate
FL/FR
mimosa absolute france
FL/FR
muguet carboxaldehyde
FR
muguet octadienol
FR
nerol
FL/FR
nerolidol
FL/FR
neryl acetate
FL/FR
ocean propanal
FL/FR
orris pyridine 25% IPM
FR
peony alcohol
FR
petitgrain oil paraguay
FL/FR
phenethyl acetate
FL/FR
phenethyl alcohol
FL/FR
rhodinol
FL/FR
rose butanoate
FL/FR
tetrahydrolinalool
FL/FR
violet methyl carbonate
FR
fruity
allyl amyl glycolate
FR
allyl cyclohexyl propionate
FL/FR
allyl hexanoate
FL/FR
bitter
almond oil
FL/FR
iso
amyl acetate
FL/FR
benzaldehyde
FL/FR
benzyl propionate
FL/FR
diethyl malonate
FL/FR
green acetate
FR
(E)-2-
hexen-1-ol
FL/FR
2-
hexen-1-ol
FL/FR
hexyl acetate
FL/FR
methyl 2-methyl valerate
FL/FR
strawberry glycidate 1 (aldehyde C-16 (so-called))
FL/FR
gamma-
undecalactone (aldehyde C-14 (so-called))
FL/FR
green
acetaldehyde butyl phenethyl acetal
FL/FR
acetaldehyde di-(Z)-3-hexen-1-yl acetal
FL/FR
acetaldehyde dipropyl acetal
FL/FR
acetaldehyde ethyl phenethyl acetal
FL/FR
galbanum oil
FL/FR
1-
heptanol
FL/FR
heptyl cinnamate
FL/FR
(Z)-2-
hexen-1-ol
FL/FR
(Z)-3-
hexen-1-ol
FL/FR
(Z)-3-
hexen-1-yl (E)-crotonate
FL/FR
(Z)-3-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl benzoate
FL/FR
(Z)-3-
hexen-1-yl formate
FL/FR
(Z)-3-
hexen-1-yl lactate
FL/FR
(Z)-3-
hexen-1-yl methyl carbonate
FL/FR
(Z)-3-
hexen-1-yl tiglate
FL/FR
3-
hexenal
FL/FR
hexoxyacetaldehyde dimethyl acetal
FR
hexyl 2-methyl butyrate
FL/FR
hexyl heptanoate
FL/FR
hexyl tiglate
FL/FR
2,4-
ivy carbaldehyde
FL/FR
lawsonia inermis leaf oil CO2 extract
FR
(Z)-
leaf acetal
FL/FR
melon nonenoate
FL/FR
methyl heptine carbonate
FL/FR
(E,Z)-2,6-
nonadien-1-ol
FL/FR
(E,Z)-2,6-
nonadien-1-yl acetate
FL/FR
(E,Z)-2,6-
nonadienal
FL/FR
(Z)-5-
octen-1-yl propionate
FL/FR
phenyl acetaldehyde
FL/FR
3-
phenyl propionaldehyde
FL/FR
iso
propyl phenyl propionaldehyde
FR
rosa damascena leaf absolute
FR
rosacyanthin
FR
rose leaf absolute (rosa centifolia)
FL/FR
styralyl acetate
FL/FR
violet leaf absolute
FL/FR
violet leaf oil (viola odorata)
FL/FR
herbal
anthemis nobilis flower oil roman
FL/FR
sweet
basil absolute
FL/FR
buchu oxime
FR
clary sage oil france
FL/FR
daucus carota fruit oil
FL/FR
eucalyptus globulus oil
FL/FR
herbal heptane
FR
herbal undecanone
FR
lavender absolute bulgaria
FL/FR
linalyl acetate
FL/FR
lovage tincture
FL/FR
nopyl acetate
FR
alpha-
terpinyl acetate
FL/FR
valerian rhizome oil
FL/FR
marine
marine pyridine
FR
melon
melon heptenal
FL/FR
watermelon ketone
FR
minty
peppermint absolute
FL/FR
iso
pulegyl formate
FL/FR
phenolic
methyl benzoate
FL/FR
powdery
para-
anisyl acetate
FL/FR
sulfurous
3-(
methyl thio) hexanol
FL/FR
terpenic
frankincense oil
FL/FR
juniperus communis fruit oil
FL/FR
alpha-
terpineol
FL/FR
thujonic
thuja occidentalis leaf oil
FL/FR
tropical
beta-
cyclocitral
FL/FR
waxy
ethyl laurate
FL/FR
methyl butyl phenyl acetate
FL/FR
woody
amber carbinol
FR
patchouli ethanone
FR
spruce needle oil canada
FL/FR
vetiver oil haiti
FL/FR
woody acetate
FR
(Z)-
woody amylene
FR
woody propanol
FR
For Flavor
No flavor group found for these
acetaldehyde di-(Z)-3-hexen-1-yl acetal
FL/FR
allyl anthranilate
FL/FR
(S)-(-)-
citronellal
FL/FR
9-
decenal
FL/FR
heptyl cinnamate
FL/FR
(Z)-3-
hexen-1-yl (E)-crotonate
FL/FR
hexyl heptanoate
FL/FR
iso
pulegyl formate
FL/FR
thuja occidentalis leaf oil
FL/FR
aldehydic
aldehydic
nonanal (aldehyde C-9)
FL/FR
octanal (aldehyde C-8)
FL/FR
apple
(E,Z)-2,6-
nonadien-1-ol
FL/FR
balsamic
benzyl benzoate
FL/FR
benzyl salicylate
FL/FR
laevo-
bornyl acetate
FL/FR
ethyl cinnamate
FL/FR
fir needle oil siberia
FL/FR
citrus
bergamot oil bergaptene reduced italy
FL/FR
citral
FL/FR
grapefruit oil c.p. california
FL/FR
lemon oil c.p. california
FL/FR
lemongrass oil
FL/FR
lime oil distilled mexico
FL/FR
laevo-
linalool
FL/FR
linalool
FL/FR
litsea cubeba fruit oil
FL/FR
nerol
FL/FR
blood
orange oil italy
FL/FR
sweet
orange peel oil c.p. brazil
FL/FR
petitgrain oil paraguay
FL/FR
alpha-
terpineol
FL/FR
cooling
iso
butyl salicylate
FL/FR
creamy
gamma-
undecalactone (aldehyde C-14 (so-called))
FL/FR
fatty
(Z)-3-
hexen-1-yl benzoate
FL/FR
10-
undecenal (aldehyde C-11 undecylenic)
FL/FR
floral
bois de rose oil brazil
FL/FR
citronellyl acetate
FL/FR
geraniol
FL/FR
linalyl acetate
FL/FR
methyl dihydrojasmonate
FL/FR
neryl acetate
FL/FR
ocean propanal
FL/FR
phenethyl alcohol
FL/FR
rhodinol
FL/FR
tetrahydrolinalool
FL/FR
fruity
allyl cyclohexyl propionate
FL/FR
allyl hexanoate
FL/FR
bitter
almond oil
FL/FR
iso
amyl acetate
FL/FR
iso
amyl benzoate
FL/FR
para-
anisyl acetate
FL/FR
benzaldehyde
FL/FR
benzyl acetate
FL/FR
benzyl alcohol
FL/FR
benzyl isobutyrate
FL/FR
benzyl propionate
FL/FR
diethyl malonate
FL/FR
2-
hexen-1-ol
FL/FR
hexyl acetate
FL/FR
methyl 2-methyl valerate
FL/FR
rose butanoate
FL/FR
strawberry glycidate 1 (aldehyde C-16 (so-called))
FL/FR
styralyl acetate
FL/FR
valerian rhizome oil
FL/FR
green
acetaldehyde butyl phenethyl acetal
FL/FR
acetaldehyde dipropyl acetal
FL/FR
acetaldehyde ethyl phenethyl acetal
FL/FR
iso
amyl salicylate
FL/FR
angelica root oil
FL/FR
cinnamyl alcohol
FL/FR
cyclamen aldehyde
FL/FR
cyclohexyl ethyl alcohol
FL/FR
dihydromyrcenol
FL/FR
(E,Z)-2,6-
dodecadienal
FL/FR
galbanum oil
FL/FR
geranyl acetate
FL/FR
(Z)-3-
hexen-1-ol
FL/FR
(E)-2-
hexen-1-ol
FL/FR
(Z)-2-
hexen-1-ol
FL/FR
(Z)-3-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl formate
FL/FR
(Z)-3-
hexen-1-yl lactate
FL/FR
(Z)-3-
hexen-1-yl methyl carbonate
FL/FR
(Z)-3-
hexen-1-yl salicylate
FL/FR
(Z)-3-
hexen-1-yl tiglate
FL/FR
3-
hexenal
FL/FR
hexyl 2-methyl butyrate
FL/FR
hexyl tiglate
FL/FR
2,4-
ivy carbaldehyde
FL/FR
(Z)-
leaf acetal
FL/FR
linalool oxide
FL/FR
melon heptenal
FL/FR
melon nonenoate
FL/FR
methyl heptenone
FL/FR
methyl heptine carbonate
FL/FR
nerolidol
FL/FR
(E,Z)-2,6-
nonadien-1-yl acetate
FL/FR
(E,Z)-2,6-
nonadienal
FL/FR
(Z)-5-
octen-1-yl propionate
FL/FR
3-
phenyl propionaldehyde
FL/FR
rose leaf absolute (rosa centifolia)
FL/FR
violet leaf absolute
FL/FR
violet leaf oil (viola odorata)
FL/FR
herbal
anthemis nobilis flower oil roman
FL/FR
sweet
basil absolute
FL/FR
clary sage oil france
FL/FR
coriander seed oil
FL/FR
daucus carota fruit oil
FL/FR
eucalyptus globulus oil
FL/FR
lavender absolute bulgaria
FL/FR
lovage tincture
FL/FR
honey
phenethyl acetate
FL/FR
phenyl acetaldehyde
FL/FR
leafy
methyl butyl phenyl acetate
FL/FR
medicinal
dimethyl benzyl carbinol
FL/FR
metallic
3-(
methyl thio) hexanol
FL/FR
minty
peppermint absolute
FL/FR
nutty
2-
acetyl furan
FL/FR
phenolic
methyl benzoate
FL/FR
solvent
1-
heptanol
FL/FR
terpenic
juniperus communis fruit oil
FL/FR
tropical
beta-
cyclocitral
FL/FR
waxy
adoxal (Givaudan)
FL/FR
decanal (aldehyde C-10)
FL/FR
ethyl laurate
FL/FR
alpha-
hexyl cinnamaldehyde
FL/FR
2-
methyl undecanal (aldehyde C-12 mna)
FL/FR
methyl undecylenate
FL/FR
mimosa absolute france
FL/FR
woody
iso
bornyl acetate
FL/FR
frankincense oil
FL/FR
spruce needle oil canada
FL/FR
alpha-
terpinyl acetate
FL/FR
vetiver oil haiti
FL/FR
 
Potential Uses:
FRagate
FRagrumen aldehyde
FRaldehydic
 alpine bouquet
 amaryllis
 apple crabapple
FRapple green apple
 ash mountain ash
FRautumn
FRbalsam
 bark
 bean
FRbergamot
 blossom tropical blossom
 boxwood
 boxwood blossom
FL/FRcajeput
FRcalamus oil replacer
FRcedar forest
FRcelery
FLcherry wild cherry
FRchristmas
FRchrysanthemum
FRchypre
FL/FRcilantro
FRcitrus
 clean
FRclematis
 cloudberry bakeapple
FRcognac
FRcologne
 cortex
FRcountry meadow
FRcranberry
FRdaffodil
 diffusion
FRearth
 enhancer
 ethereal
FRevergreen
 fantasy blends
FRfern
FRfig
FRfir balsam
FRfir needle oil replacer
FRfloral
FRflouve
FRflower shop
 foliage
FRfresh outdoors
FRgenet
FRginger white ginger
 grass
FRgreen
FRheather
FRherbal
FRhyacinth
FRhydrangea
FRivy
FRjonquil
FRkewda
 leaf
FRlemon
FRlemongrass
FRlime
FRlotus
 millefleurs
FRmint
FRnarcissus
 natural
FLnut
 ocean sea
FRorris
FRpansy
FLpear prickly pear
FRpeony
FLpepper tabasco pepper
FL/FRpetitgrain lime petitgrain
FRpetunia
FRpine
FRpineapple
 privet
 privet blossom
FRrain
FRreseda
FRrhubarb
FRrose
 rose wild rose
FRsaffron
 stem
FRsweet pea
FLtea
FLtomato
 topnotes
FRtulip
FRverbena
 vika cologne
 vine
FRviolet
FLwasabi
 watercress nasturtium
 weedy
FRyew
 
Occurrence (nature, food, other):note
 not found in nature
 
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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