green ether
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IUPAC name :2-(3-methylbutoxy)ethylbenzene
InChI :InChI=1/C13H20O/c1-12(2)8-10-14-11-9-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3
InChIKey :BHQBQWOZHYUVTL-UHFFFAOYAL
SMILES :CC(C)CCOCCC1=CC=CC=C1
cas number :56011-02-0
(EINECS) number :259-943-3
beilstein number :2250579
fema number :4635
molar refractivity :60.67 ± 0.3 cm3
parachor :499.8 ± 4.0 cm3
index of refraction :1.485 ± 0.02
surface tension :31.1 ± 3.0 dyne/cm
density :0.909 ± 0.06 g/cm3
polarizability :24.05 ± 0.5 10-24cm3
XlogP : 3.70
XlogP3-AA : 3.70
molecular weight : 192.2973000 (IUPAC)
formula :C13 H20 O
NMR Predictor :Predict
 
 
export tariff code :2909.30.2000
fda reg :unspecified

Suppliers :
Givaudan :Anther
Odor:  Green, Fresh, Floral, Hyacinth
John D. Walsh :Anther
Moellhausen :antherex
99% min. nature identical kosher
Odor:  aromatic, floral (hyacint, slightly rose), chocolate
Penta :phenylethyl isoamyl ether
Vigon :ANTHER

organoleptics :
odor type :green
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description :¹
at 10.00 % in dipropylene glycol.  
fresh green metallic spring hyacinth cool leafy
odor sample from :PPF Norda, Inc
substantivity :32  Hour(s)

properties :
appearence :colorless clear liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.89900 to 0.90200 @ 25.00 °C.
pounds per gallon - calc. : 7.481 to 7.506
refractive index :1.47700 to 1.48500 @ 20.00 °C.
boiling point : 109.00 to 110.00 °C. @ 8.00 mm Hg
flash point :> 200.00  °F.  TCC  ( > 93.33 °C. )
logP (o/w) : 4.08

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) :
  Oral-Rat    >5000.00  mg/kg
Food and Chemical Toxicology. Vol. 21, Pg. 873, 1983.

Dermal Toxicity(LD50) :
  Skin-Rabbit  >5000.00  mg/kg
Food and Chemical Toxicology. Vol. 21, Pg. 873, 1983.

Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
 
recommendation for green ether usage levels up to :
  5.0000 % in the fragrance concentrate.
 
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA on the "LIBRARY" link.
publication number : 24
 average usual ppmaverage maximum ppm
baked goods : --
beverages(nonalcoholic) : 0.500002.50000
beverages(alcoholic) : 0.500002.50000
breakfast cereal : --
cheese : --
chewing gum : 1.000005.00000
condiments / relishes : --
confectionery froastings : --
egg products : --
fats / oils : --
fish products : --
frozen dairy : --
fruit ices : --
gelatins / puddings : --
granulated sugar : --
gravies : --
hard candy : 1.000005.00000
imitation dairy : --
instant coffee / tea : --
jams / jellies : --
meat products : --
milk products : --
nut products : --
other grains : --
poultry : --
processed fruits : --
processed vegetables : --
reconstituted vegetables : --
seasonings / flavors : --
snack foods : --
soft candy : --
soups : --
sugar substitutes : --
sweet sauces : --

safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :2
 
 
 
 2-(3-methylbutoxy)ethylbenzene
(EINECS) number :259-943-3
chemidplus :056011020
EPA Substance Registry Services :56011-02-0

references :
 2-(3-methylbutoxy)ethylbenzene
NIST Chemistry WebBook :56011020
pubchem :668786

Cosmetics :
Cosmetic uses : perfuming agents

other :
reference : Luebke, William tgsc, (1985)¹
CosIng :cosmetic data
synonyms :
isoamyl phenethyl ether
isoamyl phenyl ethyl ether
 anther
 antherex
(2-(3-methyl butoxy)ethyl) benzene
3-methyl butyl oxyethyl benzene
1-(2-((3-methyl butyl)oxy)ethyl) benzene
(2-(3-methylbutoxy)ethyl) benzene
(2-(3-methylbutoxy)ethyl)benzene
2-(3-methylbutoxy)ethylbenzene
isopentyl phenethyl ether
 phenethyl isoamyl ether
 phenyl ethyl isoamyl ether
2-phenylethyl isoamyl ether
 treflon
 trefrone

soluble in :
 alcohol

insoluble in :
 water

stability :
 antiperspirant
 detergent
 fabric softener
 soap

(odor and/or flavor) blends with :
 acetaldehyde ethyl phenethyl acetal
2-acetyl furan
 allyl amyl glycolate
 allyl cyclohexyl propionate
 allyl hexanoate
 almond oil
 amber carbinol
isoamyl acetate
isoamyl benzoate
isoamyl salicylate
 angelica root oil
para-anisyl acetate
 benzaldehyde
 benzyl acetate
 benzyl alcohol
 benzyl benzoate
 benzyl isobutyrate
 benzyl propionate
 benzyl salicylate
 bergamot oil
 blood orange oil
 bois de rose oil
isobornyl acetate
laevo-bornyl acetate
isobutyl salicylate
 carrot seed oil
 cedarleaf oil
 cedarwood oils
 chamomile oil
 cinnamyl alcohol
 citral
 citronella oils
 citronellyl acetate
 citrus carbaldehyde
 clary sage oil
 clover nitrile
 coriander seed oil
 cyclamen aldehyde
 cyclohexyl ethyl alcohol
 decanal
9-decen-1-al
 diethyl malonate
 dimethyl benzyl carbinol
 dimethyl octandiol
 ethyl cinnamate
 ethyl laurate
 eucalyptus oil
 fir needle oil
 floral pyranol
 frankincense oil
 galbanum oil
 gardenia oxide
 geraniol
 geranyl acetate
 grapefruit oil
 grapefruit pentanol
 green acetate
 heliotropyl diethyl acetal
 herbal undecanone
(Z)-3-hexen-1-ol
(Z)-3-hexen-1-yl acetate
(Z)-3-hexen-1-yl benzoate
(Z)-3-hexen-1-yl formate
(Z)-3-hexen-1-yl salicylate
(Z)-3-hexen-1-yl tiglate
 hexyl 2-methyl butyrate
 hexyl acetate
alpha-hexyl cinnamaldehyde
 hexyl tiglate
 ho leaf oil
 hyacinth ether
 ionones
 juniper berry oil
 lavender absolute
 leaf acetal
 leerall
 lemon oil
 lemongrass oil
 lime oil
 linalool
laevo-linalool
 linalool oxide
 linalyl acetate
 litsea cubeba oil
 marine pyridine
 melon heptenal
 melon nonenoate
 methyl 2-methyl valerate
 methyl benzoate
 methyl dihydrojasmonate
 methyl heptenone
2-methyl undecanal
 methyl undecylenate
 mimosa absolute
 muguet carboxaldehyde
 muguet octadienol
 nerol
 nerolidol
 neryl acetate
(E,Z)-2,6-nonadien-1-al
(E,Z)-2,6-nonadien-1-ol
 nonanal
 nopyl acetate
 ocean propanal
 octanal
 orange oil
 orris pyridine
 patchouli ethanone
 peony alcohol
 petitgrain oil
 phenethyl acetate
 phenethyl alcohol
 phenyl acetaldehyde
3-phenyl propionaldehyde
 rhodinol
 rose butanoate
 spruce oil
 strawberry glycidate 1
 styralyl acetate
alpha-terpineol
alpha-terpinyl acetate
 tetrahydrolinalool
 tetrahydromyrcenol
gamma-undecalactone
10-undecen-1-al
 vetiver oil
 violet leaf absolute
 violet methyl carbonate
 watermelon ketone
 waxy aldehyde
 woody acetate
 woody amylene
 woody propanol

(odor and/or flavor) used in :
 agate
 agrumen
 aldehydic
 alpine bouquet
 amaryllis
 apple crabapple
 ash mountain ash
 balsam
 bark
 bean
 bergamot
 blossom tropical blossom
 boxwood
 boxwood blossom
 broom genet genista
 cajuput
 calamus
 cedar forest
 celery
 cherry wild cherry
 chrysanthemum chrysantheme
 chypre
 cilantro
 citrus
 clematis
 cloudberry bakeapple
 cognac
 cologne
 cortex
 cranberry
 daffodil narcissus
 diffusion
 enhancer
 ethereal
 evergreen
 fantasy blends
 fern fougere
 fig
 fir balsam
 fir needle
 floral
 flouve
 foliage
 gardenia
 ginger white ginger
 grass
 green
 heather
 herbal
 hyacinth jacinthe
 hydrangea
 ivy leaf
 jasmin
 jonquil narcissus jonquilla
 kewda
 leaf
 leaf autumn leaf
 lemon
 lemongrass
 lifter
 lily
 lime
 lotus
 magnolia
 meadow
 metallic
 millefleurs
 mint
 mushroom
 narcissus narcisse
 nut
 ocean sea
 orchid
 orris iris
 outdoors fresh outdoors
 pansy
 pear prickly pear
 peony
 pepper tabasco pepper
 petitgrain lime petitgrain
 petunia
 pineapple
 privet
 privet blossom
 rain
 reseda mignonette
 rhubarb
 rose
 rose wild rose
 saffron
 tea
 tomato
 topnotes
 tuberose tubereuse
 tulip
 verbena verveine
 vine
 watercress nasturtium
 weedy
 yew

natural occurrence in :
not found in nature



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