alpha-dihydroterpineol
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Notes :
Blends well with woody notes.
 
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IUPAC name :2-(4-methylcyclohexyl)propan-2-ol
InChI :InChI=1/C10H20O/c1-8-4-6-9(7-5-8)10(2,3)11/h8-9,11H,4-7H2,1-3H3
InChIKey :UODXCYZDMHPIJE-UHFFFAOYAE
SMILES :CC1CCC(CC1)C(C)(C)O
cas number :498-81-7
(EINECS) number :207-871-8
fl. number :02.171
molar refractivity :47.47 ± 0.3 cm3
parachor :410.1 ± 6.0 cm3
index of refraction :1.458 ± 0.02
surface tension :31.1 ± 3.0 dyne/cm
density :0.899 ± 0.06 g/cm3
polarizability :18.82 ± 0.5 10-24cm3
XlogP : 3.30
molecular weight : 156.2652000 (IUPAC)
formula :C10 H20 O
NMR Predictor :Predict
 
 
IUPAC name :1-methyl-4-propan-2-ylcyclohexan-1-ol
InChI :InChI=1/C10H20O/c1-8(2)9-4-6-10(3,11)7-5-9/h8-9,11H,4-7H2,1-3H3
InChIKey :CMLYGGFIXXLYQT-UHFFFAOYAJ
SMILES :CC(C)C1CCC(CC1)(C)O
cas number :21129-27-1
(EINECS) number :244-230-1
molar refractivity :47.73 ± 0.3 cm3
parachor :410.1 ± 6.0 cm3
index of refraction :1.461 ± 0.02
surface tension :30.9 ± 3.0 dyne/cm
density :0.898 ± 0.06 g/cm3
polarizability :18.92 ± 0.5 10-24cm3
XlogP : 3.30
molecular weight : 156.2652000 (IUPAC)
formula :C10 H20 O
NMR Predictor :Predict
 
 
export tariff code :2906.19.0000
fda reg :unspecified
Suppliers :
IFF :Dihydro Terpineol
Odor:  Floral, Citrus, Lime
Intensely powerful, pine, earthy, green, lime odor.
John D. Walsh :Dihydro Terpineol
Nippon Terpene :Dihydroterpineol
90% up (isomer mix)
Penta :dihydroterpineol
organoleptics :
odor type :herbal
odor strength :medium
odor description:
at 100.00 %.  		sweet pine terpenic lime woody
Luebke, William tgsc, (1986)
odor sample from :International Flavors & Fragrances Inc.
substantivity :8  Hour(s)
properties :
appearence :colorless clear liquid
assay : 95.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :0.90900 to 0.91500 @ 25.00 °C.
pounds per gallon - calc. : 7.564 to 7.614
specific gravity :0.90500 to 0.91300 @ 20.00 °C.
pounds per gallon - calc. : 7.539 to 7.606
refractive index :1.46000 to 1.46000 @ 20.00 °C.
boiling point : 205.00 to 208.00 °C. @ 760.00 mm Hg
vapor pressure :0.50000 mm/Hg @ 20.00 °C.
vapor density :5.4 ( Air = 1 )
flash point : 190.00  °F.  TCC  ( 87.78 °C. )
logP (o/w) : 3.25
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 36 - Wear suitable protective clothing.
Human experience : 10 % solution: no irritation or sensitization.
Oral Toxicity(LD50) : 
  Oral-Rat    >5000.00  mg/kg
(Moreno, 1973s)

Dermal Toxicity(LD50) : 
  Skin-Rabbit  >5000.00  gm/kg

Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavor and fragrance agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :0.012 (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 alpha-dihydroterpineol fragrance usage levels up to :
  20.0000 % in the fragrance concentrate.
 
 
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
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
WISER :UN 1993
 
WGK Germany :2
 
 
 
 
2-(4-methylcyclohexyl)propan-2-ol
(EINECS) number :207-871-8
chemidplus :000498817
EPA Substance Registry Services :498-81-7
 
 
 
1-methyl-4-propan-2-ylcyclohexan-1-ol
(EINECS) number :244-230-1
chemidplus :021129271
EPA Substance Registry Services :21129-27-1
references :
 
2-(4-methylcyclohexyl)propan-2-ol
fl. number :02.171
NIST Chemistry WebBook :3683337926
pubchem :153629
 
1-methyl-4-propan-2-ylcyclohexan-1-ol
NIST Chemistry WebBook :3760060896
pubchem :666213
Cosmetics :
Cosmetic uses : perfuming agents
other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
synonyms :
 dihydro alpha-terpineol
 dihydro-alpha-terpineol
para-menthan-1-ol
 methyl isopropyl cyclohexanol
1-methyl-4-(1-methyl ethyl) cyclohexanol
1-methyl-4-(isopropyl) cyclohexan-1-ol
2-(4-methylcyclohexyl)propan-2-ol
alpha,alpha-4-trimethyl cyclohexane methanol
soluble in :
 alcohol
insoluble in :
 water
stability :
 alcoholic lotion
 antiperspirant
 deo stick
 detergent
 hard surface cleaner
 shampoo
 soap
potential blenders :    note
 balsam fir oleoresinFL/FR
 bergamot oil bergaptene freeFL/FR
 borneolFL/FR
laevo-borneolFL/FR
 bornyl acetateFL/FR
laevo-bornyl acetateFL/FR
isobornyl isobutyrateFL/FR
isobornyl methyl etherFR
4-tert-butyl cyclohexane carboxaldehydeFR
isobutyl furyl propionateFL/FR
 campheneFL/FR
 camphor oilFL/FR
 cedarwood oil port orfordFR
 citrus ocimenolFR
 conifer acetateFL/FR
 cypress oilFR
 dihydromyrcenolFL/FR
2',4'-dimethyl acetophenoneFL/FR
2,4-dimethyl cyclohexyl methyl acetateFR
(E+Z)-4,8-dimethyl-3,7-nonadien-2-olFL/FR
 fenchyl acetateFL/FR
 fenchyl alcoholFL/FR
 fir balsam absoluteFR
 fir carboxylateFR
 fir needle oilFL/FR
 fir needle oil terpenelessFL/FR
 freesia heptanolFL/FR
 gurjun balsamFR
6-hydroxydihydrotheaspirane (mixture of isomers)FL/FR
(E)-beta-iononeFL/FR
alpha-iononeFL/FR
beta-iononeFL/FR
alpha-ironeFL/FR
 juniper berry oilFL/FR
 lime octadienalFR
 lime octenolFL/FR
 lime oilFL/FR
 lime oil distilled peruFL/FR
 lime oil expressed floridaFL/FR
 lime oil expressed terpenelessFL/FR
laevo-limoneneFL/FR
 linaloe wood oil mexicoFL/FR
laevo-linaloolFL/FR
 linalool oxideFL/FR
(Z)-linalool oxide (furanoid)FL/FR
 longifoleneFL/FR
1-methyl cyclohexene 
(E)-beta-methyl iononeFL/FR
iso-alpha-methyl iononeFL/FR
(E)-alpha-methyl ionone (50-60%)FL/FR
 methyl ionone gamma supremeFL/FR
 myrcenyl acetateFL/FR
 myrtenolFL/FR
 myrtenyl formateFL/FR
 myrtenyl isobutyrate 
 nopyl acetateFR
 nopyl aldehydeFR
 petitgrain cedrat oilFL/FR
(Z)-2-pinanolFR
 pine needle absoluteFL/FR
 pine needle oil scotch siberiaFL/FR
(+)-beta-pineneFL/FR
laevo-beta-pineneFL/FR
 pinocarveolFL/FR
 sandal octanolFR
 spruce needle absoluteFL/FR
 spruce oilFL/FR
 styralyl formateFL/FR
 terpinoleneFL/FR
alpha-terpinyl acetateFL/FR
 terpinyl benzoateFR
 tetrahydromyrcenolFR
 tricyclodecenyl acetateFR
 trimethyl cyclohexeneFR
 tropical iononeFL/FR
 vetiver pentanoneFR
potential uses :
 citrus
 fern fougere
 green
 herbal
 lavender
 lilac lilas syringa
 lime
 pine
 spruce
 woody
natural occurrence in :    note
 grapefruit juice - 0.01 mg/kg  
 pine oil  

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