cherry propanol
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IUPAC name :2-(4-methylphenyl)propan-2-ol
InChI :InChI=1/C10H14O/c1-8-4-6-9(7-5-8)10(2,3)11/h4-7,11H,1-3H3
InChIKey :XLPDVYGDNRIQFV-UHFFFAOYAP
SMILES :CC1=CC=C(C=C1)C(C)(C)O
cas number :1197-01-9
(EINECS) number :214-817-7
fema number :3242
coe number :530
jecfa number :1650
fl. number :02.042
molar refractivity :46.36 ± 0.3 cm3
parachor :369.9 ± 4.0 cm3
index of refraction :1.516 ± 0.02
surface tension :33.8 ± 3.0 dyne/cm
density :0.979 ± 0.06 g/cm3
polarizability :18.38 ± 0.5 10-24cm3
XlogP : 2.30
molecular weight : 150.2175600 (IUPAC)
formula :C10 H14 O
BioActivity Analysis :465595
NMR Predictor :Predict
 
 
IUPAC name :1-methyl-4-prop-1-en-2-ylbenzene
InChI :InChI=1/C10H12/c1-8(2)10-6-4-9(3)5-7-10/h4-7H,1H2,2-3H3
InChIKey :MMSLOZQEMPDGPI-UHFFFAOYAY
SMILES :CC1=CC=C(C=C1)C(=C)C
cas number :1195-32-0
% from :9.00% to 11.00%
(EINECS) number :214-795-9
fema number :3144
coe number :2260
jecfa number :1333
fl. number :01.010
molar refractivity :45.27 ± 0.3 cm3
parachor :350.0 ± 4.0 cm3
index of refraction :1.509 ± 0.02
surface tension :28.4 ± 3.0 dyne/cm
density :0.872 ± 0.06 g/cm3
polarizability :17.94 ± 0.5 10-24cm3
XlogP : 3.80
molecular weight : 132.2022800 (IUPAC)
formula :C10 H12
NMR Predictor :Predict
 
 
export tariff code :2906.29.0000
fda reg :unspecified
Suppliers :
Bedoukian Research :8-HYDROXY PARA-CYMENE
≥95.0%, Kosher
Odor:  Herbaceous and celery-like.
Nippon Terpene :p-Cymene-8-ol
80%
Penta :p-cymen-8-ol
Sigma-Aldrich-SAFC :p,a,a-Trimethylbenzyl alcohol
≥90%, Kosher
organoleptics :
odor type :fruity
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description :
at 10.00 % in dipropylene glycol.  		sweet fruity cherry coumarin floral camphor
properties :
appearence :colorless clear liquid
assay : 90.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.97400 to 0.98000 @ 25.00 °C.
pounds per gallon - calc. : 8.105 to 8.155
refractive index :1.51600 to 1.52000 @ 20.00 °C.
boiling point : 64.00 °C. @ 0.60 mm Hg
vapor pressure :0.02000 mm/Hg @ 20.00 °C.
flash point : 205.00  °F.  TCC  ( 96.11 °C. )
logP (o/w) : 2.19
safety :
most important hazard(s) :Xi - Irritant
  R 36/38 - Irritating to skin and eyes.
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) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 
safety in use :
Maximised Survey-derived Daily Intakes (MSDI-EU) :9.6 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :0.01 (μg/capita/day)
modified Theoretical Added Maximum Daily Intake (mTAMDI) :3900 (μg/person/day)
Threshold of concern :1800 (μg/person/day)
Structure Class :I
 
recommendation for cherry propanol usage levels up to :
  1.0000 % in the fragrance concentrate.
recommendation for cherry propanol usage levels up to :
  20.0000 ppm in the flavor.
 
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFFA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFFA, 2002i).
Note : mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0) : 7.0000035.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0) : 5.0000025.00000
Edible ices, including sherbet and sorbet (03.0) : 10.0000050.00000
Processed fruit (04.1) : 7.0000035.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2) : --
Confectionery (05.0) : 10.0000050.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0) : 5.0000025.00000
Bakery wares (07.0) : 10.0000050.00000
Meat and meat products, including poultry and game (08.0) : 2.0000010.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0) : 2.0000010.00000
Eggs and egg products (10.0) : --
Sweeteners, including honey (11.0) : --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0) : 5.0000025.00000
Foodstuffs intended for particular nutritional uses (13.0) : 10.0000050.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1) : 5.0000025.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2) : 10.0000050.00000
Ready-to-eat savouries (15.0) : 20.00000100.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0) : 5.0000025.00000
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
National Toxicology Program :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :2
 
 
 
 2-(4-methylphenyl)propan-2-ol
(EINECS) number :214-817-7
chemidplus :001197019
EPA/NOAA CAMEO :hazardous materials
EPA Substance Registry Services :1197-01-9
dtp/nci :361057
 
 
 1-methyl-4-prop-1-en-2-ylbenzene
(EINECS) number :214-795-9
chemidplus :001195320
EPA Substance Registry Services :1195-32-0
dtp/nci :361058
references :
 2-(4-methylphenyl)propan-2-ol
fl. number :02.042
jecfa number :1650
NIST Chemistry WebBook :1718006089
pubchem :157804
 1-methyl-4-prop-1-en-2-ylbenzene
fl. number :01.010
jecfa number :1333
NIST Chemistry WebBook :1608424975
pubchem :203683
Cosmetics :
Cosmetic uses : perfuming agents
other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
synonyms :
para-cymen-8-ol
 dimethyl para-tolyl carbinol
8-hydroxy para-cymene
4,alpha-hydroxyethyl toluene
2-4-methyl phenyl-2-propanol
2-(4-methyl phenyl) propan-2-ol
2-(4-methyl phenyl)-2-propanol
2-(para-methyl phenyl)-2-propanol
1-methyl-4-(1-hydroxy-1-methyl ethyl) benzene
1-methyl-4-(alpha-hydroxyisopropyl) benzene
2-(4-methylphenyl)propan-2-ol
1-para-tolyl-1-ethanol
2-para-tolyl-2-propanol
alpha,alpha,4-trimethyl benzene methanol
alpha,alpha,4-trimethyl benzyl alcohol
para,alpha,alpha-trimethyl benzyl alcohol
soluble in :
 alcohol
 water, slightly
insoluble in :
 water
(odor and/or flavor) blends with :
 acetal 318
1-acetyl cyclohexyl acetate
 allyl 2-ethyl butyrate
 allyl benzoate
 allyl isovalerate
 almond oil bitter
isoamyl 2-methyl butyrate
isoamyl 3-(2-furan) propionate
 amyl angelate
isoamyl angelate
 amyl butyrate
alpha-amyl cinnamaldehyde
para-anisyl acetate
para-anisyl formate
para-anisyl propionate
 benzaldehyde
 benzaldehyde / methyl anthranilate schiff's base
 benzaldehyde glycrol acetal
 benzyl acetate
 benzyl acetoacetate
 benzyl cinnamate
 benzyl formate
 berry hexanoate
 bread thiophene
isobutyl anthranilate
isobutyl furyl propionate
2-butyl thiophene
 butyl undecylenate
 butyrophenone
 chamomile isobutyrate
 chamomile propionate
 chamomile valerate
 cherry oxyacetate
 cherry pentenoate
 cinnamyl formate
 cinnamyl isovalerate
 citronellyl butyrate
 citronellyl hexanoate
 citronellyl isobutyrate
 citronellyl propionate
(E)-citronellyl tiglate
 clary propyl acetate
beta-homocyclocitral
 cyclohexyl cinnamate
 cyclohexyl formate
(E)-beta-damascone
(Z)-beta-damascone
beta-damascone
2-decalinyl acetate
2,4-difurfuryl furan
 dihydrojasmone
2,4-dimethyl benzaldehyde
 dimethyl benzyl carbinyl acetate
S-(2,5-dimethyl-3-furyl) ethane thioate
(E+Z)-4,8-dimethyl-3,7-nonadien-2-one
 eriocephalus punctulatus oil
 ethyl 2-furoate
 ethyl 2-phenyl-3-furoate
 ethyl benzoyl acetate
 ethyl levulinate
 ethyl methyl-para-tolyl glycidate
4-ethyl octanoic acid
 geraniol
2-heptanol
 heptyl isobutyrate
(Z)-3-hexen-1-yl isovalerate
 hexoxyacetaldehyde dimethyl acetal
2-hexyl-4-acetoxytetrahydrofuran
2'-hydroxyacetophenone
 immortelle flower oil
 menthadienyl formate
3-mercaptohexyl acetate
(E)-para-methoxycinnamaldehyde
para-methoxycinnamaldehyde
 methoxymelonal
 methyl (E)-cinnamate
 methyl (Z)-3-hexenoate
 methyl 4-phenyl butyrate
 methyl alpha-ionone
 methyl benzyl acetate (mixed ortho-,meta-,para-)
 methyl cinnamate
 methyl cyclogeranate
 methyl decanoate
 methyl furfuracrylate
alpha-isomethyl ionone (90% min.)
 methyl ionyl acetate
 methyl isobutyrate
3-methyl-2-buten-1-al
(E)-7-methyl-3-octen-2-one
3-nonanon-1-yl acetate
 nutty cyclohexenone
 orris root concrete
laevo-perillaldehyde
 petitgrain lemon oil
 phenethyl isobutyrate
 phenethyl isovalerate
1-phenyl propyl butyrate
2-phenyl propyl isobutyrate
4-phenyl-3-buten-2-ol
2-phenyl-4-pentenal
 powdery ketone
isopropyl benzoate
 raspberry ketone methyl ether
 rhubarb pyran
 rose undecene
 terpinyl valerate
 tetrahydroionyl acetate
 tolualdehydes (mixed o/m/p)
meta-tolyl aldehyde
para-tolyl aldehyde
4-(para-tolyl)-2-butanone
 tropical ionone
(odor and/or flavor) used in :
 celery
 cherry
 cranberry
 grape
 herbal
 tobacco tabac tabaco
natural occurrence in :
data pagealpinia galanga oil @ trace%
data pageangelica root oil @ 0.65%
data pageangelica seed oil CO2 extract @ trace%
data pagebay leaf oil @ 0.00-<0.01%
data pagebay leaf oil clove @ 0.1%
bergamot plant wild
bilberry
data pagecascarilla bark oil @ 0.28%
data pagecassis bud oil @ trace-0.66%
data pagechamomile oil @ 0.05%
data pagecinnamomum fragrans baillon leaf oil madagascar @ 0.30%
data pageclary sage oil greece @ 0.15%
data pagecornmint oil india @ 0.03%
cranberry
data pagecrithmum maritimum l. oil turkey @ <0.10%
currant
data pagecypress cone oil egypt @ 0.1%
data pagecypress oil @ trace%
data pageeucalyptus camaldulensis dehn. leaf oil jerusalem @ 0.60%
data pageeucalyptus camaldulensis dehnh. leaf oil ethiopia @ 1.10%
data pageeucalyptus deaneti maiden leaf oil ethiopia @ 1.20%
data pageeucalyptus globulus bicostata oil @ 0.09%
data pageeucalyptus globulus maidenii f. muell oil @ 0.13%
data pageeucalyptus globulus oil @ 0.15%
data pageeucalyptus globulus oil rwanda @ 0.07%
data pageeucalyptus globulus pseudoglobulus oil @ 0.16%
data pageheracleum candolleanum rhizome oil india @ 0.40%
data pagehyptis suaveolens (l.) poit. oil mali @ 0.20-0.40%
data pagekachur oil @ 0.10%
data pagekewda oil @ 0.20-0.21%
data pagelabdanum oil @ 0.19%
data pagelaurel leaf oil turkey @ 0.20%
data pagelavandin oil abrialis @ 0.05%
data pagelavandin oil grosso @ 0.02%
data pagelavender oil spike france @ 0.09%
data pagelayana oil kenya @ trace%
data pagelayana oil zimbabwe @ 0.1%
data pagelime oil CO2 extract mexico @ trace%
data pagelime oil distilled peru @ 0.11%
data pagemarjoram oil sweet turkey @ 0.02-0.07%
data pagemarjoram pot oil turkey @ 0.00-0.44%
data pagemayur pankh fruit oil himalaya @ 1.40%
data pagementha longifolia (l.) huds. oil jordan @ 0.50%
data pagemicrostrobos fitzgeraldii leaf oil australia @ 0.20%
data pagemikan peel oil @ trace%
mint
data pageparsley leaf oil cuba @ 0.09%
data pageparsley seed oil @ 0.09%
pepper
data pagepetitgrain mandarin oil @ trace%
data pagepetitgrain sweet oil @ 0.50%
data pageplectranthus glandulosus hook f. leaf oil cameroon @ 3.60%
data pagepteronia oil @ 0.80%
data pagesavin oil @ 2.22%
data pagesugandha kokila berry oil @ 0.10%
data pagetea tree oil australia @ trace%
data pagethyme oil red spain @ trace%
data pageturmeric root oil vietnam @ 0.15%



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