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
Molar Refractivity :46.88 ± 0.3 cm3 (est)
Parachor :375.8 ± 4.0 cm3 (est)
Index of Refraction :1.523 ± 0.02 (est)
Surface Tension :36.1 ± 3.0 dyne/cm (est)
Density :0.979 ± 0.06 g/cm3 (est)
Polarizability :18.58 ± 0.5 10-24cm3 (est)
XlogP : 2.60 (est)
XlogP3 : 2.30 (est)
Molecular Weight : 150.2175600 (IUPAC) (PT) (112)
Formula :C10 H14 O
Pherobase Floral:view
NMR Predictor :Predict
 
 
Category :flavor and fragrance agents
EU / EUROPA / FDA / JECFA Information :
JECFA Food Flavoring : 864
Fl@vouring Number : 02.039
FDA Mainterm : P-ISOPROPYLBENZYL ALCOHOL.
FDA Regulation. :FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION
Subpart F--Flavoring Agents and Related Substances
Sec. 172.515 Synthetic flavoring substances and adjuvants.
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 - est. : 8.071 to 8.138
Specific Gravity :0.97100 to 0.97900 @ 20.00 °C.
Pounds per Gallon - est. : 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 Ppoint : 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
BioActivity Analysis :48414818
(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
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 sweetFL/FR
isobutyl (E,E)-2,4-decadienamideFL/FR
isobutyl angelateFL/FR
 caraway seed oilFL/FR
 carrot leaf oil (daucus carota ssp.maximus)FR
 carrot seed oilFL/FR
 carrot seed oil (daucus carota ssp. gummifer hook. fil.) 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 oil americaFL/FR
2,4-dimethyl anisoleFL
 ginger oleoresin africaFL/FR
2-heptanoneFL/FR
3-hepten-2-oneFL/FR
 hexyl 3-mercaptobutanoateFL
 hexyl cinnamate 
 lilyallFR
 marjoram oil sweet (majorana hortensis moench (origanum majorana l.)) cubaFL/FR
 marjoram oil sweet (majorana hortensis moench (origanum majorana l.)) egyptFL/FR
 marjoram oil sweet (majorana hortensis moench (origanum majorana l.)) moroccoFL/FR
 marjoram oil sweet (origanum majorana l. var. tenuifolium weston) cyprus 
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 :
 apricotFR
 balsamFR
 carawayFL/FR
 citrusFR
 cuminFL/FR
 dateFR
 gooseberryFR
 leatherFR
 leather russianFR
 strawberryFR
 woodyFR
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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