perillaldehyde
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IUPAC name :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
InChIKey :RUMOYJJNUMEFDD-UHFFFAOYAO
SMILES :CC(=C)C1CCC(=CC1)C=O
cas number :2111-75-3
(EINECS) number :218-302-8
fema number :3557
coe number :11788
jecfa number :973
fl. number :05.117
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
BioActivity Analysis :425553
NMR Predictor :Predict
 
 
export tariff code :2912.49.0000
fda reg :172.515
Suppliers :
Berje :Perilla Aldehyde
Citrus and Allied Essences :laevo-perilla aldehyde
Odor:  fatty-spicy, oily-herbaceous
Fleurchem :dihydro cuminyl aldehyde
natural
Inoue :PERILLADEHYDE
Nippon Terpene :l-Perillaldehyde
90% up
Penta :perilla aldehyde
organoleptics :
odor type :herbal
odor strength :high ,
recommend smelling in a 10.00 % solution or less
odor description :¹
at 10.00 % in dipropylene glycol.  		fresh green herbal grassy sweet mint cumin
odor sample from :Caro Trading Company, Ltd.
substantivity :8  Hour(s)
properties :
appearence :pale yellow to dark yellow clear oily liquid
assay : 80.00 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 :-125.00 to -118.00
boiling point : 238.00 to 240.00 °C. @ 760.00 mm Hg
vapor pressure :0.04300 mm/Hg @ 25.00 °C.
flash point : 200.00  °F.  TCC  ( 93.33 °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.
Oral Toxicity(LD50) :
  Oral-Mouse    1720.00  mg/kg
Food and Chemical Toxicology. Vol. 20, Pg. 799, 1982.

Dermal Toxicity(LD50) :
  Skin-Guineapig  >5000.00  mg/kg
Food and Chemical Toxicology. Vol. 20, Pg. 799, 1982.

Inhalation Toxicity(LC50) :
  Not determined
 
safety in use :
 
IFRA critical Effect :Sensitization
IFRA fragrance material specification :
 Should not be used such that the level in finished cosmetic products exceeds 0.1%. Based on test results showing sensitisation (IFRA guidelines).
limits in the finished product for - "leave on the skin contact" :
  0.1000 % Restriction.
limits in the finished product for - "wash off the skin contact" :
  0.1000 % Restriction.
limits in the finished product for - "no skin contact" :
  0.2000 % Restriction.
recommendation for perillaldehyde usage levels up to :
  2.0000 % in the fragrance concentrate.
safety references :
EPI System :view
IFRA :IFRA - ( Found under : Perilla aldehyde )
Chemical Carcinogenesis Research Information System :Search
Cancer Citations :Search
Toxicology Citations :Search
Env. Mutagen Info. Center :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
SCCNFP :opinion
 
WGK Germany :3
 
 
 
 4-prop-1-en-2-ylcyclohexene-1-carbaldehyde
(EINECS) number :218-302-8
chemidplus :002111753
EPA Substance Registry Services :2111-75-3
dtp/nci :138642
references :
 4-prop-1-en-2-ylcyclohexene-1-carbaldehyde
fl. number :05.117
jecfa number :973
NIST Chemistry WebBook :224105168
pubchem :159683
Cosmetics :
Cosmetic uses : masking agents
skin conditioning
other :
reference : Luebke, William tgsc, (1986)¹
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
synonyms :
 dihydrocuminyl aldehyde
para-mentha-1,8-dien-7-al
4-(1-methyl ethenyl)-1-cyclohexene-1-carboxaldehyde
 perilla aldehyde
 perillaaldehyde
 perillal
 perillic aldehyde
 perillyl aldehyde
4-prop-1-en-2-ylcyclohexene-1-carbaldehyde
4-isopropenyl cyclohex-1-ene carbaldehyde
4-isopropenyl-1-cyclohexene-1-carboxaldehyde
soluble in :
 alcohol
 oils
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
 blackberry
 citrus
 cumin
 grapefruit
 grass
 green
 herbal
 labdanum
 lime
 mandarin
 mint
 orange
 peppermint
 spearmint
 tea black tea
 tea green tea
 woody
natural occurrence in :
data pageamomum testaceum ridl. fruit oil malaysia @ 0.30%
blackberry
data pageblood orange oil (citrus sinensis l. var. sanguinello) italy @ 0.009%
data pageblood orange oil (citrus sinensis l. var. tarocco) italy @ 0.008%
data pageblood orange oil italy @ 0.010%
data pagecostmary oil @ 0.43%
data pagecumin seed oil turkey @ 2.4%
data pagefleabane oil @ 0.10%
data pagegingergrass oil @ 0.21%
grapefruit juice
grapefruit oil
data pagegrapefruit oil c.p. @ 0.03%
data pagegrapefruit oil california @ 0.05%
data pagegrapefruit oil CO2 extract @ 0.05%
labdanum siam
data pagelaurel leaf oil turkey @ 0.30-0.80%
data pagelemon oil california @ 0.03%
lime juice
data pagelime oil distilled mexico @ 0.02%
data pagelime oil distilled peru @ 0.05%
data pagelime oil expressed florida @ trace%
lime peel oil
data pagemandarin oil @ 0.53%
data pagemandarin oil italy @ trace%
data pagemandarin oil uruguay @ 0.02-0.04%
mandarin peel
data pagemikan peel oil @ trace%
orange oil
data pageorange oil terpeneless @ 0.80%
data pageorange peel oil bitter china @ 0.01%
data pageorange peel oil bitter italy @ 0.03%
data pageorange peel oil sweet c.p. blond italy @ 0.009%
data pageorange peel oil sweet c.p. blond italy @ 0.013%
data pageorange peel oil sweet c.p. blond italy @ 0.014%
data pageorange peel oil sweet c.p. blond italy @ 0.015%
data pageorange peel oil sweet c.p. blond italy @ 0.015%
data pageorange peel oil sweet c.p. florida @ 0.01%
data pageorange peel oil sweet c.p. valencia @ 0.01%
peppermint
tea black tea
data pagetsauri grass oil @ 0.90%
data pageyuzu peel oil c.p. @ 0.01-0.02%
data pageyuzu peel oil CO2 extract @ trace-0.05%



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