cuminyl alcohol
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Notes :
Modifier for citrus notes.
 
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IUPAC name :(4-propan-2-ylphenyl)methanol
InChI :InChI=1/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-6,8,11H,7H2,1-2H3
InChIKey :OIGWAXDAPKFNCQ-UHFFFAOYAM
SMILES :CC(C)C1=CC=C(C=C1)CO
cas number :536-60-7
(EINECS) number :208-640-4
beilstein number :0636665
fema number :2933
coe number :88
jecfa number :864
fl. number :02.039
molar refractivity :46.88 ± 0.3 cm3
parachor :375.8 ± 4.0 cm3
index of refraction :1.523 ± 0.02
surface tension :36.1 ± 3.0 dyne/cm
density :0.979 ± 0.06 g/cm3
polarizability :18.58 ± 0.5 10-24cm3
XlogP : 2.60
XlogP3 : 2.30
molecular weight : 150.2175600 (IUPAC)
formula :C10 H14 O
BioActivity Analysis :48414818
pherobase floral:view
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :172.515
Suppliers :
John D. Walsh :Cuminyl Alcohol
Penta :cuminyl alcohol
SAFC Global® :p-Isopropylbenzyl alcohol
≥97%, Kosher
TCI AMERICA :4-Isopropylbenzyl Alcohol
>98.0%(GC)
organoleptics :
odor type :spicy
odor strength :medium
odor description:
at 100.00 %.  		strong cumin caraway spicy herbal leather
Luebke, William tgsc, (1992)
odor sample from :International Flavors & Fragrances Inc.
substantivity :68  Hour(s)
properties :
appearence :colorless to pale yellow clear liquid
assay : 97.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.97000 to 0.97800 @ 25.00 °C.
pounds per gallon - calc. : 8.071 to 8.138
specific gravity :0.97100 to 0.97900 @ 20.00 °C.
pounds per gallon - calc. : 8.089 to 8.156
refractive index :1.51600 to 1.52200 @ 20.00 °C.
boiling point : 135.00 to 136.00 °C. @ 26.00 mm Hg
boiling point : 246.00 to 248.00 °C. @ 760.00 mm Hg
flash point : 225.00  °F.  TCC  ( 107.22 °C. )
logP (o/w) : 2.37
safety :
most important hazard(s) : Xn - Harmful.
Human experience : 4 % solution: no irritation or sensitization.
Oral Toxicity(LD50) : 
  Oral-Rat    1020.00  mg/kg
Food and Cosmetics Toxicology. Vol. 12, Pg. 871, 1974.

Dermal Toxicity(LD50) : 
  Skin-Rabbit  2500.00  mg/kg
Food and Cosmetics Toxicology. Vol. 12, Pg. 871, 1974.

Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavor and fragrance agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :0.24 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :0.30 (μg/capita/day)
Structure Class :I
 
recommendation for cuminyl alcohol fragrance usage levels up to :
  4.0000 % in the fragrance concentrate.
recommendation for cuminyl alcohol flavor usage levels up to :
  35.0000 ppm in the flavor.
safety references :
European Food Safety Athority(efsa) :Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
EPI System :view
Env. Mutagen Info. Center :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :2
 
 
 
 
(4-propan-2-ylphenyl)methanol
(EINECS) number :208-640-4
RTECS :GZ7260000 for cas# 536-60-7
chemidplus :000536607
EPA Substance Registry Services :536-60-7
dtp/nci :15672
references :
 
(4-propan-2-ylphenyl)methanol
fl. number :02.039
jecfa number :864
NIST Chemistry WebBook :1903109630
pubchem :154126
Flavornet :536-60-7
Cosmetics :
Cosmetic uses : perfuming agents
other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
RIFM :listed
FMA :listed
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
 cumin alcohol
 cuminic alcohol
 cuminol
 cuminyl alcohol
 cumunyl alcohol
para-cymen-7-ol
(4-propan-2-ylphenyl)methanol
4-isopropyl benzyl alcohol
para-isopropyl benzyl alcohol
para-iso-propyl benzyl alcohol
soluble in :
 alcohol
 water, slightly
insoluble in :
 water
stability :
 non-discoloring
potential blenders :    note
 agrumen nitrileFR
 birch oil sweet americaFL/FR
isobutyl (E,E)-2,4-decadienamideFL/FR
isobutyl angelateFL/FR
 caraway seed oilFL/FR
 carrot leaf oilFR
 carrot seed oilFL/FR
 carrot seed oil spainFR
 carrot weed oilFL/FR
 carvacryl ethyl etherFL/FR
(E)-carveolFL/FR
(Z)-carveolFL/FR
laevo-carveolFL/FR
dextro-carvoneFL/FR
(Z)-carvone-5,6-oxideFL/FR
 celery ketoneFL/FR
 celery undeceneFR
 cinnamaldehyde dimethyl acetalFL/FR
(E)-cinnamyl nitrileFR
 coriander seed absoluteFL/FR
 coriander seed concreteFR
 coriander seed oilFL/FR
(-)-cubenol 
 cumin acetaldehydeFL/FR
 cumin carbinolFR
 cumin oleoresinFL
 cumin seed absoluteFL/FR
 cumin seed oilFL/FR
 cuminaldehydeFL/FR
 cuminyl nitrileFR
 currant bud absolute blackFL/FR
2-cyclohexyl cyclohexanoneCS
 dehydroxylinalool oxideFL/FR
 dihydrocarvyl acetateFL/FR
 dihydrojasmoneFL/FR
 dill seed oilFL
 dill weed oilFL/FR
2,4-dimethyl anisoleFL
 ginger oleoresinFL
2-heptanoneFL/FR
3-hepten-2-oneFL/FR
 hexyl 3-mercaptobutanoateFL
 hexyl cinnamate 
 lilyallFR
 marjoram oil sweet cubaFL/FR
 marjoram oil sweet cyprus 
 marjoram oil sweet egyptFL/FR
 marjoram oil sweet moroccoFL/FR
para-menth-1-en-9-alFL/FR
(E)-para-menthan-2-oneFL/FR
3-nonanolFL/FR
 nonisyl acetateFR
3-octen-2-oneFL/FR
 parsley seed oilFL/FR
 perillaldehydeFL/FR
 perillyl acetateFL/FR
4-isopropyl-2-cyclohexenoneFL/FR
 savory oil summerFL/FR
 savory oil winterFL
(±)-1,2,5,6-tetrahydrocuminic acidFL/FR
potential uses :
 apricot
 balsam
 caraway
 citrus
 cumin
 date
 gooseberry
 leather
 leather russian leather
 strawberry
 woody
natural occurrence in :    note
data pageallamanda cathartica linn. flower oil brazil @ trace% S
data pageangelica seed oil CO2 extract @ 0.40% S
 carum carvi l. S
data pagecistus oil @ 0.3% S
data pageeucalyptus globulus bud oil @ 0.37% S
data pageeucalyptus globulus fruit oil @ trace% S
data pageguava fruit headspace reunion @ 0.30% S
data pagelaurel leaf oil turkey @ 0.10% S
 lavender  
data pagemanuka var. rotundifolium oil australia @ 0.30% S
data pagemastic fruit oil @ trace% S
data pagemastic leaf oil @ trace% S
data pagenepeta denudata benth. oil iran @ 0.60% S
data pagethyme oil red spain @ trace-0.08% S

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