neocyclocitral
 
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IUPAC name :3,5,6-trimethylcyclohex-3-ene-1-carbaldehyde
InChI :InChI=1/C10H16O/c1-7-4-8(2)9(3)10(5-7)6-11/h4,6,8-10H,5H2,1-3H3
InChIKey :DEMWVPUIZCCHPT-UHFFFAOYAY
(EINECS) number :266-810-3
cas number :67634-07-5
molar refractivity :48.00 ± 0.3 cm3
parachor :387.6 ± 6.0 cm3
index of refraction :1.496 ± 0.02
surface tension :30.9 ± 3.0 dyne/cm
density :0.926 ± 0.06 g/cm3
polarizability :19.02 ± 0.5 10-24cm3
xlogp : 2.80
molecular weight : 152.2334400
formula :C10 H16 O
 
 
fda reg :unspecified h. number :2912.29.60
organoleptics : 
odor type :green
odor strength :medium
odor description :
at 100.00 %.  
fresh green leafy clean herbal chrysanthemum
substantivity :4  Hour(s)
properties : 
appearence :colorless clear liquid
assay : 98.00 - 100.00 %   
Food Chemicals Codex Listed :No
boiling point : 201.00 - 202.00 °C. @ 760.00 mm Hg
logp : 3.16
safety : 
most important hazard(s) : Xi - Irritant
  
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 152.00  °F.  TCC  ( 66.67 °C. )
  
IFRA critical Effect :Sensitization
Fragrance usage is RESTRICTED to :
Please review all IFRA documents for complete information. (QRA)
IFRA categories : limits in the finished product: (For a description of the categories, refer to the IFRA QRA Information Booklet.)
Category 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 
  
 

(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).

 

Note : Category 11 includes all non-skin contact or incidental skin contact products. Due to negligible skin contact, the concentration of a fragrance ingredient should not exceed the usual concentration of the fragrance compound in the finished product.

For example, hypothetically if the usual concentration of a fragrance compound in the final product, for example a candle, is at 5%, then any individual fragrance ingredient (in this case neocyclocitral) must not exceed 5% in the candle.

recommendation for neocyclocitral usage levels up to :
 not for flavor use.
  
safety links : 
(EINECS) number :266-810-3
chemidplus :067634075
epa-srs :67634-07-5
  
other : 
 
references : 
pubchem :683961
  
synonyms :
neocyclocitral
3,5,6-trimethyl cyclohex-3-ene-1-carbaldehyde
 trimethyl cyclohexene carbaldehyde
3,5,6-trimethyl-3-cyclohexene-1-carboxaldehyde
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) blends with :
 acetaldehyde ethyl phenethyl acetal
2-acetyl furan
 allyl amyl glycolate
 allyl cyclohexyl propionate
 allyl hexanoate
 almond oil
 amber carbinol
isoamyl acetate
isoamyl benzoate
isoamyl salicylate
 angelica root oil
para-anisyl acetate
 benzaldehyde
 benzyl acetate
 benzyl alcohol
 benzyl benzoate
 benzyl isobutyrate
 benzyl propionate
 benzyl salicylate
 bergamot oil
 blood orange oil
 bois de rose oil
isobornyl acetate
laevo-bornyl acetate
isobutyl salicylate
 carrot seed oil
 cedarleaf oil
 cedarwood oils
 chamomile oil
 cinnamyl alcohol
 citral
 citronella oils
 citronellyl acetate
 citrus carbaldehyde
 clary sage oil
 clover nitrile
 coriander seed oil
 cyclamen aldehyde
 cyclohexyl ethyl alcohol
 decanal
9-decen-1-al
 diethyl malonate
 dihydromyrcenol
 dimethyl benzyl carbinol
 dimethyl octandiol
2,6-dodecadienal
 ethyl cinnamate
 ethyl laurate
 eucalyptus oil
 fir needle oil
 floral pyranol
 frankincense oil
 galbanum oil
 gardenia oxide
 geraniol
 geranyl acetate
 grapefruit oil
 grapefruit pentanol
 green acetate
 heliotropyl diethyl acetal
 herbal undecanone
(Z)-3-hexen-1-ol
(Z)-3-hexen-1-yl acetate
(Z)-3-hexen-1-yl benzoate
(Z)-3-hexen-1-yl formate
(Z)-3-hexen-1-yl salicylate
(Z)-3-hexen-1-yl tiglate
 hexyl 2-methyl butyrate
 hexyl acetate
alpha-hexyl cinnamaldehyde
 hexyl tiglate
 ho leaf oil
 hyacinth ether
 ionones
2,4-ivy carbaldehyde
 juniper berry oil
 lavender absolute
 leaf acetal
 leerall
 lemon oil
 lemongrass oil
 lime oil
 linalool
laevo-linalool
 linalool oxide
 linalyl acetate
 litsea cubeba oil
 marine pyridine
 melon heptenal
 melon nonenoate
 methyl 2-methyl valerate
 methyl benzoate
 methyl dihydrojasmonate
 methyl heptenone
2-methyl undecanal
 methyl undecylenate
 mimosa absolute
 muguet carboxaldehyde
 muguet octadienol
 nerol
 nerolidol
 neryl acetate
(E,Z)-2,6-nonadien-1-al
(E,Z)-2,6-nonadien-1-ol
 nonanal
 nopyl acetate
 ocean propanal
 ocimene epoxide
 octanal
 orange oil
 orris pyridine
 patchouli ethanone
 peony alcohol
 petitgrain oil
 phenethyl acetate
 phenethyl alcohol
 phenyl acetaldehyde
3-phenyl propionaldehyde
 rhodinol
 rose butanoate
 spruce oil
 strawberry glycidate 1
 styralyl acetate
alpha-terpineol
alpha-terpinyl acetate
 tetrahydrolinalool
 tetrahydromyrcenol
gamma-undecalactone
10-undecen-1-al
 valerian root oil
 vetiver oil
 violet leaf absolute
 violet methyl carbonate
 watermelon ketone
 waxy aldehyde
 woody acetate
 woody amylene
 woody propanol
(odor and/or flavor) used in :
 agate
 agrumen
 aldehydic
 alpine bouquet
 amaryllis
 apple crabapple
 apple green apple
 ash mountain ash
 balsam
 bark
 bean
 bergamot
 blossom tropical blossom
 boxwood
 boxwood blossom
 broom genet genista
 cajuput
 calamus
 cedar forest
 celery
 cherry wild cherry
 christmas blends
 chrysanthemum chrysantheme
 chypre
 cilantro
 citrus
 clean
 clematis
 cloudberry bakeapple
 cognac
 cologne
 cortex
 cranberry
 daffodil narcissus
 diffusion
 earth humus
 enhancer
 ethereal
 evergreen
 fantasy blends
 fern fougere
 fig
 fir balsam
 fir needle
 floral
 flouve
 flower
 foliage
 ginger white ginger
 grass
 green
 heather
 herbal
 hyacinth jacinthe
 hydrangea
 ivy leaf
 jonquil narcissus jonquilla
 kewda
 leaf
 leaf autumn leaf
 lemon
 lemongrass
 lime
 lotus
 meadow
 millefleurs
 mint
 narcissus narcisse
 natural
 nut
 ocean sea
 orris iris
 outdoors fresh outdoors
 pansy
 pear prickly pear
 peony
 pepper tabasco pepper
 petitgrain lime petitgrain
 petunia
 pine
 pineapple
 privet
 privet blossom
 rain
 reseda mignonette
 rhubarb
 rose
 rose wild rose
 saffron
 stem
 sweet pea pois de senteur
 tea
 tomato
 topnotes
 tulip
 verbena verveine
 vika cologne
 vine
 violet
 wasabi
 watercress nasturtium
 weedy
 yew
natural occurrence in :
not found in nature



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