3,6-ivy carbaldehyde
 
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IUPAC name :3,6-dimethylcyclohex-3-ene-1-carbaldehyde
InChI :InChI=1/C9H14O/c1-7-3-4-8(2)9(5-7)6-10/h3,6,8-9H,4-5H2,1-2H3
InChIKey :YLGCZMOAYIGIPX-UHFFFAOYAN
SMILES :CC1CC=C(CC1C=O)C
(EINECS) number :267-186-5
cas number :67801-65-4
fema number :4505
molar refractivity :43.29 ± 0.3 cm3
parachor :349.5 ± 6.0 cm3
index of refraction :1.511 ± 0.02
surface tension :34.4 ± 3.0 dyne/cm
density :0.957 ± 0.06 g/cm3
polarizability :17.16 ± 0.5 10-24cm3
xlogp : 2.30
molecular weight : 138.2068600
formula :C9 H14 O
 
 
export tariff code :unspecified
fda reg :unspecified
 

organoleptics :
odor type :green
odor strength :high ,
recommend smelling in a 10.00 % solution or less
odor description :¹ :
at 10.00 % in dipropylene glycol.  
green tart citrus herbal cortex aldehydic
substantivity :16  Hour(s)

properties :
appearence :colorless to pale yellow clear liquid
assay : 85.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.92000 to 0.92900 @ 25.00 °C.
pounds per gallon - calc. : 7.655 to 7.730
refractive index :1.46800 to 1.47200 @ 20.00 °C.
boiling point : 90.00 °C. @ 32.00 mm Hg
logp : 2.67

safety :
Oral Toxicity(LD50) : Oral-Mouse    >3.10  gm/kg    
Dermal Toxicity(LD50) : Not determined
flash point ( Deg. F. ) : 160.00  °F.  TCC  ( 71.11 °C. )
recommendation for 3,6-ivy carbaldehyde usage levels up to :
  2.0000 % in the fragrance concentrate.

safety links :
 
 
(EINECS) number :267-186-5
chemidplus :067801654
EPA Substance Registry Services :67801-65-4
NLM Chemical Carcinogenesis Research Information System :67801-65-4
NLM Developmental and Reproductive Toxicity :67801-65-4
NLM Env. Mutagen Info. Center :67801-65-4
NLM GENetic TOXicology :67801-65-4
dtp/nci :26486
EPI System :view

other :

references :
pubchem :672809
reference : Luebke, William tgsc, (1985)¹
synonyms :
 cortex carboxaldehyde
 cyclovertal
3,6-dimethyl cyclohex-3-ene-1-carbaldehyde
3,6-dimethyl-3-cyclohexene carbaldehyde
3,6-dimethyl-3-cyclohexene carboxaldehyde
3,6-dimethyl-3-cyclohexene-1-carboxaldehyde
 hivsrtal
3,6-ivy carbaldehyde

soluble in :
 alcohol

insoluble in :
 water

stability :
 alcoholic lotion
 antiperspirant
 deo stick
 fabric softener
 shampoo
 soap

(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
 dimethyl benzyl carbinol
 dimethyl octandiol
 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
 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
 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
 vetiver oil
 violet leaf absolute
 violet methyl carbonate
 watermelon ketone
 waxy aldehyde
 woody acetate
 woody amylene
 woody propanol

(odor and/or flavor) used in :
 aldehydic
 bean
 citrus
 cortex
 floral
 fresh
 fruit
 green
 herbal
 lemon

natural occurrence in :
not found in nature



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