laevo-perillaldehyde
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IUPAC name :(4S)-4-prop-1-en-2-ylcyclohexene-1-carbaldehyde
InChI :InChI=1/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,7,10H,1,4-6H2,2H3/t10-/m1/s1
InChIKey :RUMOYJJNUMEFDD-SNVBAGLBBU
SMILES :CC(=C)[C@H]1CCC(=CC1)C=O
cas number :18031-40-8
beilstein number :2326448
fema number :3557
molar refractivity :47.25 ± 0.3 cm3
parachor :377.1 ± 6.0 cm3
index of refraction :1.543± 0.02
surface tension :40.1 ± 3.0 dyne/cm
density :1.002 ± 0.06 g/cm3
polarizability :18.73 ± 0.5 10-24cm3
XlogP : 2.30
molecular weight : 150.2175600
formula :C10 H14 O
NMR Predictor :Predict
 
 
export tariff code :2912.49.0000
fda reg :unspecified
Suppliers :
Sigma-Aldrich-SAFC :(S)-(-)-Perillaldehyde
≥92%, Kosher
Odor:  cherry; oily; green
organoleptics :
odor type :aromatic
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description :
at 10.00 % in dipropylene glycol.  		fresh green oliy grassy fatty mint cherry
substantivity :8  Hour(s)
properties :
appearence :pale yellow to dark yellow clear oily liquid
assay : 92.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.95800 to 0.97300 @ 25.00 °C.
pounds per gallon - calc. : 7.972 to 8.096
refractive index :1.50700 to 1.51500 @ 20.00 °C.
optical rotation :-118.00 to -125.00
boiling point : 104.00 to 105.00 °C. @ 10.00 mm Hg
boiling point : 237.00 °C. @ 760.00 mm Hg
flash point : 203.00  °F.  TCC  ( 95.00 °C. )
logP (o/w) : 2.68
safety :
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 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 37/39 - Wear suitable gloves and eye/face protection.
Human experience : 1 % solution: no irritation or sensitization.
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 
safety in use :
 
recommendation for laevo-perillaldehyde usage levels up to :
  0.5000 % in the fragrance concentrate.
recommendation for laevo-perillaldehyde usage levels up to :
  25.0000 ppm in the flavor.
safety references :
EPI System :view
Chemical Carcinogenesis Research Information System :Search
Env. Mutagen Info. Center :Search
 
WGK Germany :3
 
 
 
 (4S)-4-prop-1-en-2-ylcyclohexene-1-carbaldehyde
RTECS :GW2967200 for 18031-40-8
chemidplus :018031408
EPA Substance Registry Services :18031-40-8
references :
 (4S)-4-prop-1-en-2-ylcyclohexene-1-carbaldehyde
NIST Chemistry WebBook :1434798116
pubchem :171282
other :
VCF-Online: VCF Volatile Compounds in Food
synonyms :
(S)-(-)-dihydrocuminyl aldehyde
(S)-para-mentha-1,8-dien-7-al
(S)-(-)4-(1-methyl ethenyl)-1-cyclohexene-1-carboxaldehyde
(-)-perilla aldehyde
(S)-perilla aldehyde
(S)-(-)-perilla aldehyde
(-)-perillaaldehyde
(S)-perillaaldehyde
(S)-(-)-perillaaldehyde
(-)-perillaldehyde
(S)-(-)-perillaldehyde
(4S)-4-prop-1-en-2-ylcyclohexene-1-carbaldehyde
(S)-(-)-4-isopropenyl-1-cyclohexene-1-carboxaldehyde
laevo-4-isopropenyl-1-cyclohexene-1-carboxaldehyde
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) blends with :
 bark carbaldehyde
 butyl heptanoate
sec-butyl-3-methyl but-2-ene thioate
2,4-decadien-1-al
3-decen-2-one
 dibutyl sulfide
 dihydroxyacetophenone
3,7-dimethyl-6-octenoic acid
 dodecanal
 dodecanal dimethyl acetal
 epoxy-2-decenal
 ethyl hexanoate
2-ethyl pyridine
 fresh carbaldehyde
 furfuryl hexanoate
3-(2-furyl) acrolein
 guaiyl acetate
(E,E)-2,4-heptadien-1-al
 heptanal cyclic propylene acetal
3-heptanone
(Z)-4-hepten-1-al
2-hepten-1-al
(Z)-3-hepten-1-ol
3-hepten-2-one
2-heptenoic acid
2-heptyl furan
 heptyl heptanoate
 hexanal
 hexanal butane-2,3-diol acetal
 hexanal dihexyl acetal
 hexanal octane-1,3-diol acetal
(Z)-3-hexen-1-al
(Z)-3-hexenoic acid
 hexyl (E)-2-hexenoate
alpha-hexyl cinnamaldehyde dimethyl acetal
 lilac acetaldehyde
 litsea cubeba oil
 methyl 2-hexenoate
 methyl 2-methyl butyrate
3-(methyl thio) hexanal
2-methyl-2-penten-1-al
 mimosa absolute
(E,Z)-2,6-nonadien-1-al
2,4-nonadien-1-al
(E,Z)-3,6-nonadien-1-ol
2,4-nonadien-1-ol
(E)-2-nonen-1-al
(E,E)-2,4-octadien-1-al
(E,E)-3,5-octadien-2-one
(E)-2-octen-1-al
2-octen-1-al
(E)-2-octen-1-yl acetate
 octen-1-yl cyclopentanone
 propylene acetal
3,5,5-trimethyl hexanol
 undecanal
(odor and/or flavor) used in :
 apple
 citrus
 cumin
 grapefruit
 grass
 green
 herbal
 lime
 mint
 orange
 spearmint
 tea green tea
 woody
natural occurrence in :
blackberry
grapefruit juice
grapefruit oil
labdanum siam
lime juice
lime peel oil
mandarin peel
orange oil
peppermint
tea black tea



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