chrysanthemum oxide
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IUPAC name :2-methoxyethylbenzene
InChI :InChI=1/C9H12O/c1-10-8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKey :CQLYXIUHVFRXLT-UHFFFAOYAS
SMILES :COCCC1=CC=CC=C1
cas number :3558-60-9
(EINECS) number :222-619-7
beilstein number :1857538
fema number :3198
coe number :11812
jecfa number :1254
fl. number :03.006
molar refractivity :42.18 ± 0.3 cm3
parachor :343.3 ± 4.0 cm3
index of refraction :1.493 ± 0.02
surface tension :31.3 ± 3.0 dyne/cm
density :0.938 ± 0.06 g/cm3
polarizability :16.72 ± 0.5 10-24cm3
XlogP : 1.90
molecular weight : 136.1909800
formula :C9 H12 O
NMR Predictor :Predict
 
 
export tariff code :2909.30.2000
fda reg :unspecified

Suppliers :
Inoue :METHYL PHENETHYL ETHER
Moellhausen :phenylethyl methyl ether
97% min. nature identical kosher
Odor:  fresh, etheral floral, rose- and jasmin-like, somewhat fruity.
Penta :phenyl ethyl methyl ether
Sigma-Aldrich-Aldrich :Methyl phenethyl ether
Takasago :Phenyl Ethyl Methyl Ether
≥99% as Phenyl ethyl methyl ether
Odor:  Hyacinth-like floral.

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.  
green floral chrysanthemum jasmin metallic rose
odor sample from :Givaudan Corporation
substantivity :88  Hour(s)

properties :
appearence :colorless clear liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.94500 to 0.95300 @ 25.00 °C.
pounds per gallon - calc. : 7.863 to 7.930
specific gravity :0.94600 to 0.95400 @ 20.00 °C.
pounds per gallon - calc. : 7.881 to 7.947
refractive index :1.49600 to 1.50100 @ 20.00 °C.
boiling point : 185.00 to 187.00 °C. @ 760.00 mm Hg
boiling point : 100.00 to 104.00 °C. @ 25.00 mm Hg
flash point : 150.00  °F.  TCC  ( 65.56 °C. )
logP (o/w) : 2.14

safety :
most important hazard(s) :Xi - Irritant
  R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
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 : 8 % solution: no irritation or sensitization.
Oral Toxicity(LD50) :
  Gavage-Rat   [sex: M,F]  <5000.00  mg/kg
(Shelanski & Moldovan, 1971c)

Dermal Toxicity(LD50) :
  Skin-Rabbit  3970.00  mg/kg

Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
Maximised Survey-derived Daily Intakes (MSDI-EU) :26.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :0.01 (μg/capita/day)
 
recommendation for chrysanthemum oxide usage levels up to :
  5.0000 % in the fragrance concentrate.

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 :3
 
 
 
 2-methoxyethylbenzene
(EINECS) number :222-619-7
chemidplus :003558609
EPA Substance Registry Services :3558-60-9
dtp/nci :81229

references :
 2-methoxyethylbenzene
fl. number :03.006
jecfa number :1254
NIST Chemistry WebBook :432875159
pubchem :162040

Cosmetics :
Cosmetic uses : perfuming agents

other :
reference : Luebke, William tgsc, (1987)¹
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
synonyms :
 kedwa ether
 kewda ether
1-methoxy-2-phenyl ethane
2-methoxyethyl benzene
(2-methoxyethyl) benzene
2-methoxyethylbenzene
 methyl 2-phenethyl ether
 methyl phenethyl ether
 methyl phenethyl oxide
 methyl phenyl ethyl ether
 pandanol
 phenethyl methyl ether
2-phenethyl methyl ether
 phenyl ethyl methyl ether
2-phenyl ethyl methyl ether

soluble in :
 alcohol
 dipropylene glycol
 water, very slightly

insoluble in :
 water

stability :
 alcoholic fine fragrance, good
 antiperspirant, good
 fabric softener, good
 hypochlorite bleach, good
 liquid detergent, good
 perborate powder detergent, good
 soap, good
 toiletry application, good

(odor and/or flavor) blends with :
 acetaldehyde dipropyl acetal
 acetaldehyde ethyl phenethyl acetal
 allyl amyl glycolate
 allyl cyclohexyl propionate
 allyl hexanoate
 amber carbinol
isoamyl 3-(2-furan) propionate
isoamyl acetate
 amyl benzoate
isoamyl benzoate
isoamyl salicylate
 angelica root oil
para-anisyl acetate
 anisyl propanal / methyl anthranilate schiff's base
 benzaldehyde
 benzyl acetate
 benzyl alcohol
 benzyl benzoate
 benzyl isobutyrate
 benzyl methyl ether
 benzyl propionate
 benzyl salicylate
 bergamot oil
 blood orange oil
 bois de rose oil
isobornyl acetate
laevo-bornyl acetate
isobutyl benzyl carbinol
alpha-butyl cinnamaldehyde
isobutyl salicylate
 carrot seed oil
 cassis pentanone
 cedarleaf oil
 cedarwood oils
 chamomile oil
 chrysanthemum carbaldehyde
 cinnamyl alcohol
 cinnamyl formate
 cinnamyl phenyl acetate
 citral
 citral dimethyl acetal
 citronella oils
 citronellyl acetate
 citronellyl propionate
 citrus carbaldehyde
 clary sage absolute
 clary sage oil
 clover nitrile
 coriander seed oil
 cumin carbinol
 cuminyl acetaldehyde
 cyclamen aldehyde
neocyclocitral
 cyclohexyl ethyl alcohol
 decanal
 decanal propylene glycol acetal
3-decanone
(E)-4-decen-1-al
2-decen-1-al
9-decen-1-al
 diethyl malonate
 dimethyl benzyl carbinol
 dimethyl benzyl carbinyl butyrate
 dimethyl succinate
6,8-dimethyl-2-nonanol
 earthy acetal
 epoxy-2-decenal
 ethyl 2-benzyl butyrate
 ethyl 3-hexenoate
 ethyl chrysanthemate
 ethyl cinnamate
 ethyl laurate
 ethyl methyl-para-tolyl glycidate
2-ethyl octine carbonate
 eucalyptus oil
 farnesyl acetate
 fir needle oil
 floral butanal
 floral pyranol
 frankincense oil
 fresh carbaldehyde
 galbanum oil
 gardenia absolute
 gardenia oxide
 geraniol
 geranium oil
 geranyl acetate
 geranyl acetone
 geranyl isobutyrate
 grapefruit oil
 grapefruit pentanol
 green acetate
 green dioxolane
 green ether
 heliotropyl diethyl acetal
1-hepten-3-ol
 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 octanoate
(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 absolute
 hyacinth ether
 hydroxycitronellal diethyl acetal
 ionones
 ivy carbaldehyde / methyl anthranilate schiff's base
 ivy dioxolane
 jasmin cyclopentanol
 jonquil absolute
 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 hexane
 marine pyridine
 melon heptenal
 melon nonenoate
 methyl 2-methyl valerate
 methyl 2-undecynoate
 methyl benzoate
 methyl benzyl disulfide
 methyl cyclocitrone
 methyl dihydrojasmonate
 methyl heptenone
para-methyl hydratropaldehyde
 methyl octine carbonate
 methyl propyl trisulfide
2-methyl undecanal
 methyl undecylenate
4-methyl-4-phenyl pentanone
 mimosa absolute
 muguet carboxaldehyde
 muguet octadienol
 muguet undecadienal
 nerol
 neroli oil
 nerolidol
 neryl acetate
(E,Z)-2,6-nonadien-1-al
(E,Z)-2,6-nonadien-1-ol
 nonanal
 nopyl acetate
 ocean propanal
 ocean propanal / methyl anthranilate schiff's base
 octanal
 octanal dimethyl acetal
 octyl oxyacetaldehyde
 orange leaf absolute
 orange oil
 orris pyridine
 papaya isobutyrate
 patchouli ethanone
 peach pivalate
 peony alcohol
 petitgrain oil
 phenethyl acetate
 phenethyl alcohol
 phenethyl butyl ether
 phenyl acetaldehyde
 phenyl acetaldehyde diisobutyl acetal
3-phenyl propionaldehyde
2-phenyl propionaldehyde ethylene glycol acetal
4-isopropyl quinoline
isopropyl quinoline
 rhodinol
 rose butanoate
 spruce oil
 strawberry glycidate 1
 styralyl acetate
 styralyl formate
 sweet pea absolute
 tagette carboxylate
alpha-terpineol
alpha-terpinyl acetate
 terpinyl isobutyrate
 tetrahydrolinalool
 tetrahydromyrcenol
 tricyclodecenyl acetate
gamma-undecalactone
10-undecen-1-al
isovaleraldehyde propylene glycol acetal
 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 autumn leaf
 lemon
 lemongrass
 lime
 lotus
 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 :
data pagechampaca concrete @ trace%
data pageketaki flower oil india @ 66.20%
data pagekewda oil @ 66.35-67.91%
pandanus odoratissimus
tagetes signata oil



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