alpha-terpinyl methyl ether
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IUPAC name :4-(2-methoxypropan-2-yl)-1-methylcyclohexene
InChI :InChI=1/C11H20O/c1-9-5-7-10(8-6-9)11(2,3)12-4/h5,10H,6-8H2,1-4H3
InChIKey :YWJHQHJWHJRTAB-UHFFFAOYAO
SMILES :CC1=CCC(CC1)C(C)(C)OC
cas number :14576-08-0
(EINECS) number :238-620-0
fl. number :03.020
molar refractivity :51.91 ± 0.3 cm3
parachor :439.4 ± 6.0 cm3
index of refraction :1.457 ± 0.02
surface tension :28.4 ± 3.0 dyne/cm
density :0.884 ± 0.06 g/cm3
polarizability :20.58 ± 0.5 10-24cm3
XlogP : 2.90
molecular weight : 168.2759000 (IUPAC)
formula :C11 H20 O
BioActivity Analysis :103549
pherobase floral:view
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
Suppliers :
IFF :Orange Flower Ether
≥94% (sum of isomers)
Odor:  Citrus, Grapefruit, Floral
Citrus (grapefruit) note also reminiscent of bergamot. Occurs naturally in orange flowers.
John D. Walsh :Orange Flower Ether
Penta :orange flower ether
organoleptics :
odor type :citrus
odor strength :medium
odor description:
at 100.00 %.  		citrus grapefruit bergamot orangeflower
substantivity :4  Hour(s)
properties :
appearence :colorless to pale yellow clear liquid
assay : 94.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :0.89600 to 0.90400 @ 25.00 °C.
pounds per gallon - calc. : 7.456 to 7.522
specific gravity :0.89700 to 0.90500 @ 20.00 °C.
pounds per gallon - calc. : 7.473 to 7.539
refractive index :1.46400 to 1.46800 @ 20.00 °C.
boiling point : 200.00 to 201.00 °C. @ 760.00 mm Hg
flash point : 180.00  °F.  TCC  ( 82.22 °C. )
logP (o/w) : 3.54
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.
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavor and fragrance agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :4.10 (μg/capita/day)
modified Theoretical Added Maximum Daily Intake (mTAMDI) :3200 (μg/person/day)
Threshold of concern :90 (μg/person/day)
 
recommendation for alpha-terpinyl methyl ether fragrance usage levels up to :
  5.0000 % 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) : 3.0000015.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0) : 2.0000010.00000
Edible ices, including sherbet and sorbet (03.0) : 3.0000015.00000
Processed fruit (04.1) : 2.0000010.00000
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) : 3.0000015.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2) : 10.0000050.00000
Ready-to-eat savouries (15.0) : 15.0000075.00000
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
 
WGK Germany :2
 
 
 
 
4-(2-methoxypropan-2-yl)-1-methylcyclohexene
(EINECS) number :238-620-0
chemidplus :014576080
EPA Substance Registry Services :14576-08-0
dtp/nci :52566
references :
 
4-(2-methoxypropan-2-yl)-1-methylcyclohexene
fl. number :03.020
pubchem :662619
Cosmetics :
Cosmetic uses : perfuming agents
other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
synonyms :
para-menth-1-en-8-yl methyl ether
4-(1-methoxy-1-methyl ethyl)-1-methyl cyclohexene
4-(2-methoxypropan-2-yl)-1-methylcyclohexene
 methoxyisopropyl methyl cyclohexene
 orange flower ether
 orangeflower ether
alpha-terpinyl methyl ether
soluble in :
 alcohol
insoluble in :
 water
stability :
 alcoholic lotion
 antiperspirant
 bleach
 deo stick
 detergent
 fabric softener
 shampoo
 soap
potential blenders :    note
6-acetoxydihydrotheaspiraneFL/FR
 benzyl anthranilateFL/FR
 bergamot acetoacetateFR
 bergamot mint oilFR
 bergamot oil bergaptene freeFL/FR
beta-bisabololFL/FR
isobutyl methyl anthranilateFL/FR
 cassis oxime 10%FR
 champaca absoluteFR
 citral / methyl anthranilate schiff's baseFR
 citronellyl formateFL/FR
 clean nitrileFR
 cuminyl acetateFL/FR
 cyclamen aldehyde / methyl anthranilate schiff's baseFR
 cyclohexyl anthranilateFL/FR
 decanalFL/FR
 decanal / methyl anthranilate schiff's baseFR
(Z)-4-decen-1-alFL/FR
 decyl formateFR
 dehydronootkatoneFL
 dihydromyrcenyl acetateFR
 dihydronootkatoneFL
2,4-dimethyl-3-cyclohexene-1-methanyl acetateFR
(E,E)-2,4-dodecadien-1-alFL
2-dodecanoneFL/FR
 ethyl anthranilateFL/FR
 ethyl linaloolFR
2-ethyl-1-hexanolFL/FR
 farneseneFL/FR
 gardenia amideFR
 gardenia decaloneFR
 gardenia pentyl acetateFR
 grapefruit acetalFR
 grapefruit indeneFR
 grapefruit menthaneFL/FR
 grapefruit nitrileFR
 grapefruit octenoneFR
 grapefruit oilFL/FR
 grapefruit oil c.p. italy 
 grapefruit oil CO2 extractFL/FR
 grapefruit oil terpenelessFL/FR
 grapefruit pentanolFR
(E,E)-2,4-hexadien-1-alFL/FR
 honeysuckle absoluteFR
 hydroxycitronellal / methyl anthranilate schiff's baseFR
pseudoiononeFL
 labdanum ethanoneFR
 leerall / methyl anthranilate schiff's baseFR
 lilyall / methyl anthranilate schiff's baseFR
 linalyl acetateFL/FR
dextro-linalyl acetateFL/FR
laevo-linalyl acetateFL/FR
 linalyl anthranilateFL/FR
 linalyl benzoateFL/FR
 linalyl butyrateFL/FR
 linalyl formateFL/FR
 linalyl isobutyrateFL/FR
 linalyl isovalerateFL/FR
 linalyl propionateFL/FR
 magnolia indeneFR
 mandarin oil uruguayFL/FR
1-para-menthene-8-thiolFL/FR
4-mercapto-4-methyl-2-pentanolFL
 methyl anthranilateFL/FR
alpha-methyl naphthyl ketoneFL/FR
alpha-methylene citronellalFR
 myrcenyl acetateFL/FR
 myrmac aldehydeFR
beta-naphthyl ethyl etherFL/FR
beta-naphthyl methyl etherFL/FR
beta-naphthyl methyl ketoneFL/FR
2-naphthyl phenyl ketone 
 nerol oxideFL/FR
 neroli oilFL/FR
 neroli oil CO2 extractFL/FR
 nerolidyl isobutyrateFR
 nerolin fragarolFL/FR
 neryl acetateFL/FR
 neryl isovalerateFL/FR
 nonanal / methyl anthranilate schiff's baseFR
 nootkatoneFL/FR
 ocean propanal / methyl anthranilate schiff's baseFR
 ocimen-1-yl acetateFR
3-octyl acetateFL/FR
 orangeflower absoluteFL/FR
(Z)-2-penten-1-yl hexanoateFL/FR
 peony acetonitrileFR
 petitgrain bigarade oilFL/FR
 propyl anthranilateFL/FR
 rhubarb furanFR
 surfleurs d'oranger oilFL/FR
alpha-terpineolFL/FR
 terpineol acetateFR
alpha-terpinyl anthranilateFL/FR
 terpinyl isobutyrateFL/FR
 tetrahydrolinalyl acetateFR
 tonka ketoneFR
 tridecanalFL/FR
(±)-2,4,8-trimethyl-7-nonen-2-olFL/FR
 undecanal dimethyl acetalFR
 undecanolFL/FR
10-undecen-1-olFL/FR
 valenceneFL/FR
 wallflower absoluteFR
potential uses :
 bergamot
 celery
 citrus
 grapefruit
 lilac lilas syringa
 neroli
 orange blossom fleur d'oranger
 petitgrain
 vegetable
natural occurrence in :    note
 mahonia japonica S
 orangeflower absolute S

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