perilla alcohol
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IUPAC name :(4-prop-1-en-2-yl-1-cyclohexenyl)methanol
InChI :InChI=1/C10H16O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,10-11H,1,4-7H2,2H3
InChIKey :NDTYTMIUWGWIMO-UHFFFAOYAB
SMILES :CC(=C)C1CCC(=CC1)CO
cas number :536-59-4
(EINECS) number :208-639-9
fema number :2664
coe number :2024
jecfa number :974
fl. number :02.060
molar refractivity :46.87 ± 0.3 cm3
parachor :385.2 ± 6.0 cm3
index of refraction :1.491 ± 0.02
surface tension :32.1 ± 3.0 dyne/cm
density :0.940 ± 0.06 g/cm3
polarizability :18.58 ± 0.5 10-24cm3
XlogP : 1.80
molecular weight : 152.2334400 (IUPAC)
formula :C10 H16 O
NMR Predictor :Predict
 
 
IUPAC name :[(4R)-4-prop-1-en-2-yl-1-cyclohexenyl]methanol
InChI :InChI=1/C10H16O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,10-11H,1,4-7H2,2H3/t10-/m0/s1
InChIKey :NDTYTMIUWGWIMO-JTQLQIEIBT
SMILES :CC(=C)[C@@H]1CCC(=CC1)CO
cas number :57717-97-2
molar refractivity :46.87 ± 0.3 cm3
parachor :385.2 ± 6.0 cm3
index of refraction :1.491 ± 0.02
surface tension :32.1 ± 3.0 dyne/cm
density :0.940 ± 0.06 g/cm3
polarizability :18.58 ± 0.5 10-24cm3
XlogP : 1.80
molecular weight : 152.2334400 (IUPAC)
formula :C10 H16 O
BioActivity Analysis :26755292
NMR Predictor :Predict
 
 
IUPAC name :[(4S)-4-prop-1-en-2-yl-1-cyclohexenyl]methanol
InChI :InChI=1/C10H16O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,10-11H,1,4-7H2,2H3/t10-/m1/s1
InChIKey :NDTYTMIUWGWIMO-SNVBAGLBBH
SMILES :CC(=C)C1CCC(=CC1)CO
cas number :18457-55-1
molar refractivity :46.87 ± 0.3 cm3
parachor :385.2 ± 6.0 cm3
index of refraction :1.491 ± 0.02
surface tension :32.1 ± 3.0 dyne/cm
density :0.940 ± 0.06 g/cm3
polarizability :18.58 ± 0.5 10-24cm3
XlogP : 1.80
molecular weight : 152.2334400 (IUPAC)
formula :C10 H16 O
BioActivity Analysis :500472
NMR Predictor :Predict
 
 
export tariff code :2906.10
fda reg :172.515
Suppliers :
Citrus and Allied Essences :perilla alcohol
Nippon Terpene :l-Perillyl alcohol
85% up
Penta :para-mentha-1,8-dien-7-ol
Sigma-Aldrich-SAFC :(S)-(-)-Perillyl alcohol
≥90%, Kosher, FG
Odor:  green; fatty
organoleptics :
odor type :green
odor strength :medium
odor description :
at 100.00 %.  		green linalool terpineol fatty
properties :
appearence :colorless to pale yellow clear liquid
assay : 90.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.95000 to 0.96500 @ 25.00 °C.
pounds per gallon - calc. : 7.905 to 8.030
refractive index :1.48800 to 1.50500 @ 20.00 °C.
boiling point : 119.00 to 121.00 °C. @ 11.00 mm Hg
boiling point : 92.00 to 93.00 °C. @ 760.00 mm Hg
flash point :> 230.00  °F.  TCC  ( > 110.00 °C. )
logP (o/w) : 3.17
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 : 4 % solution: no irritation or sensitization.
Oral Toxicity(LD50) :
  Oral-Rat    2100.00  mg/kg

Dermal Toxicity(LD50) :
  Skin-Rabbit  >5.00  gm/kg

Inhalation Toxicity(LC50) :
  Not determined
 
safety in use :
 
recommendation for perilla alcohol usage levels up to :
  4.0000 % in the fragrance concentrate.
recommendation for perilla alcohol usage levels up to :
  50.0000 ppm in the flavor.
safety references :
EPI System :view
ClinicalTrials.gov :search
Daily Med :search
Chemical Carcinogenesis Research Information System :Search
Cancer Citations :Search
Toxicology Citations :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :3
 
 
 
 (4-prop-1-en-2-yl-1-cyclohexenyl)methanol
(EINECS) number :208-639-9
RTECS :OS8395000 for 536-59-4
chemidplus :000536594
EPA Substance Registry Services :536-59-4
 
 
 [(4R)-4-prop-1-en-2-yl-1-cyclohexenyl]methanol
chemidplus :57717-97-2
EPA Substance Registry Services :57717-97-2
 
 
 [(4S)-4-prop-1-en-2-yl-1-cyclohexenyl]methanol
chemidplus :18457-55-1
EPA Substance Registry Services :18457-55-1
dtp/nci :641066
references :
 (4-prop-1-en-2-yl-1-cyclohexenyl)methanol
fl. number :02.060
jecfa number :974
NIST Chemistry WebBook :3064209958
pubchem :154125
 [(4R)-4-prop-1-en-2-yl-1-cyclohexenyl]methanol
pubchem :46447705
 [(4S)-4-prop-1-en-2-yl-1-cyclohexenyl]methanol
pubchem :500472
Cosmetics :
Cosmetic uses : antimicrobial agents
antioxidants
masking agents
perfuming agents
skin protecting agents
other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
Dietary Supplements Labels Database : Search
synonyms :
(S)-(-)-dihydrocuminic alcohol
 hydrocumin alcohol
1-hydroxymethyl-4-isopropenyl-1-cyclohexene
para-mentha-1,8-dien-7-ol
 menthadien-7-carbinol
4-(1-methyl ethenyl)-1-cyclohexene-1-methanol
 perillol
(-)-perillyl alcohol
(S)-(-)-perillyl alcohol
(4-prop-1-en-2-yl-1-cyclohexenyl)methanol
4-isopropenyl cyclohex-1-en-1-yl methanol
4-isopropenyl cyclohex-1-ene-1-methanol
4-isopropenyl cyclohex-1-enyl methanol
4-isopropenyl-1-cyclohexene carbinol
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) blends with :
alpha-amyl cinnamaldehyde dimethyl acetal
 benzyl anthranilate
 bois de rose oil
alpha-butyl cinnamaldehyde
 citronellyl ethoxalate
 citronellyl oxyacetaldehyde
 citrus ocimenol
 coranol
para-cresyl isobutyrate
para-cresyl phenyl acetate
 cubeb oil
 cumin carbinol
 cyclamen aldehyde / methyl anthranilate schiff's base
 cyclamen homoaldehyde
 cyclohexyl ethyl alcohol
 cyclohexyl propanol
2-decalinol
(Z)-4-decen-1-al
 dihydrolinalool
 dimethyl benzyl carbinyl formate
3,6-dimethyl-3-octanol
 ethyl linalool
 ethyl linalyl acetal
 ethyl linalyl acetate
 ethyl linalyl ether
(E,E)-farnesol
 floral butanal
 floral pyranol
 freesia acetate
 gardenia decalone
 hawthorn ethanol
 ho leaf oil
 ho wood oil
 hydroxycitronellal
 hydroxycitronellal / methyl anthranilate schiff's base
 hydroxycitronellal diethyl acetal
 hydroxycitronellal dimethyl acetal
 hydroxycitronellol
 jasimia
 leerall
 leerall / methyl anthranilate schiff's base
 lily pentanal
 lily propanol
 lilyall
 lilyall / methyl anthranilate schiff's base
 linalool
dextro-linalool
laevo-linalool
 linalool oxide
 linalyl anthranilate
 linalyl benzoate
 linalyl cinnamate
 linalyl propionate
 magnolia cyclohexanol
 magnolia decadienal
 methoxycitronellal
2-methyl octanal
 muguet butanal
 muguet butanol
 muguet carbaldehyde
 muguet carbinol
 muguet carboxaldehyde
 muguet ethanol
 muguet nitrile
 muguet octadienol
 muguet propanol
 muguet shiseol
 muguet undecadienal
 myrmac aldehyde
 nonanal
 octyl phenyl acetate
 ozone propanal
 phenyl glycol diacetate
alpha-terpinyl anthranilate
 tetrahydrolinalool
 tetrahydromyrcenol
 ylang ylang oil
 ylang ylang oil CO2 extract
 ylang ylang oil I
 ylang ylang oil II
 ylang ylang oil III
(odor and/or flavor) used in :
 bergamot
 caraway
 cardamom
 cranberry
 cumin
 gingergrass
 hops houblon
 huckleberry bilberry
 lavandin
 root beer
 spearmint
 vanilla
natural occurrence in :
data pageamomum testaceum ridl. fruit oil malaysia @ 1.70%
data pageangelica root oil @ 0.10%
bergamot plant wild
data pagecaraway seed oil @ 0.10%
gingergrass
data pagelaurel leaf oil turkey @ trace-0.80%
lavandin
data pagemandarin oil uruguay @ 0.02-0.03%
data pageorange peel oil bitter china @ 0.01%
perilla
data pagerose oil otto bulgaria @ 0.05%
savin
data pageturmeric root oil hydrodistilled @ 0.17%
data pagewormseed oil spain @ 0.15%



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