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
Molar Refractivity :42.18 ± 0.3 cm3 (est)
Parachor :343.3 ± 4.0 cm3 (est)
Index of Refraction :1.493 ± 0.02 (est)
Surface Tension :31.3 ± 3.0 dyne/cm (est)
Density :0.938 ± 0.06 g/cm3 (est)
Polarizability :16.72 ± 0.5 10-24cm3 (est)
XlogP : 1.90 (est)
XlogP3 : 2.20 (est)
Molecular Weight : 136.1909800 (IUPAC) (PT) (112)
Formula :C9 H12 O
Pherobase Floral:view
NMR Predictor :Predict
 
 
Category :flavor and fragrance agents

EU / EUROPA / FDA / JECFA Information :
JECFA Food Flavoring : 1254
Fl@vouring Number : 03.006
FDA Mainterm : METHYL PHENETHYL ETHER.

Suppliers :
Global Essence :PHENYL ETHYL METHYL ETHER
Hofmen :Methyl phenethyl ether
98%
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
Mainly used in soap fragrances.

Organoleptics :
Odor Type :green
Odor Strength :medium ,
recommend smelling in a 10.00 % solution or less
Odor Description:
at 10.00 % in dipropylene glycol.  
green floral chrysanthemum jasmin metallic rose
Luebke, William tgsc, (1987)
Odor sample from :Givaudan Corporation
Substantivity :88  Hour(s)

Properties :
Appearence :colorless clear liquid
Food Chemicals Codex Listed :No
Flash Ppoint : 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
Food and Chemical Toxicology. Vol. 20, Pg. 807, 1982.

Inhalation Toxicity(LC50) : 
  Not determined
 

Safety in Use :
Category :flavor and fragrance agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :26.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :0.01 (μg/capita/day)
Structure Class :II
 
Recommendation for chrysanthemum oxide fragrance 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
NIST Chemistry WebBook :432875159
Pubchem :162040

Cosmetics :
Cosmetic Uses : perfuming agents

Other :
Export Tariff Code :2909.30.2000
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
RIFM :listed
FMA :listed
FDA Everything Added to Food in the United States (EAFUS)View
Synonyms :
 chrysanthemum oxide
 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

Potential Blenders :    note
 acetaldehyde dipropyl acetalFL/FR
 acetaldehyde ethyl phenethyl acetalFL/FR
 allyl amyl glycolateFR
 allyl cyclohexyl propionateFL/FR
 allyl hexanoateFL/FR
 amber carbinolFR
isoamyl 3-(2-furan) propionateFL/FR
isoamyl acetateFL/FR
 amyl benzoateFL/FR
isoamyl benzoateFL/FR
isoamyl salicylateFL/FR
 angelica root oilFL/FR
para-anisyl acetateFL/FR
 anisyl propanal / methyl anthranilate schiff's baseFR
 benzaldehydeFL/FR
 benzyl acetateFL/FR
 benzyl alcoholFL/FR
 benzyl benzoateFL/FR
 benzyl isobutyrateFL/FR
 benzyl methyl etherFL/FR
 benzyl propionateFL/FR
 benzyl salicylateFL/FR
 bergamot oilFL/FR
 blood orange oil italyFL/FR
 bois de rose oil brazilFL/FR
isobornyl acetateFL/FR
laevo-bornyl acetateFL/FR
isobutyl benzyl carbinolFL/FR
alpha-butyl cinnamaldehydeFL/FR
isobutyl salicylateFL/FR
 carrot seed oilFL/FR
 cassis pentanoneFL/FR
 cedarleaf oilFL/FR
 chamomile flower oil romanFL/FR
 chrysanthemum carbaldehydeFR
 cinnamyl alcoholFL/FR
 cinnamyl formateFL/FR
 cinnamyl phenyl acetateFL/FR
 citralFL/FR
 citral dimethyl acetalFL/FR
 citronellyl acetateFL/FR
 citronellyl propionateFL/FR
 citrus carbaldehydeFR
 clary sage absoluteFL/FR
 clary sage oil franceFL/FR
 clover nitrileFR
 coriander seed oilFL/FR
 cumin carbinolFR
 cuminyl acetaldehydeFL/FR
 cyclamen aldehydeFL/FR
neocyclocitralFR
 cyclohexyl ethyl alcoholFL/FR
 decanal (aldehyde C-10)FL/FR
 decanal propylene glycol acetalFL/FR
3-decanoneFL/FR
(E)-4-decen-1-alFL/FR
2-decen-1-alFL/FR
9-decen-1-alFL/FR
 diethyl malonateFL/FR
 dimethyl benzyl carbinolFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
 dimethyl succinateFL/FR
6,8-dimethyl-2-nonanolFR
 earthy acetalFL/FR
 epoxy-2-decenalFL
 ethyl 2-benzyl butyrateFL/FR
 ethyl 3-hexenoateFL/FR
 ethyl chrysanthemateFR
 ethyl cinnamateFL/FR
 ethyl laurateFL/FR
 ethyl methyl-para-tolyl glycidateFL/FR
2-ethyl octine carbonateFL
 eucalyptus globulus oilFL/FR
 farnesyl acetateFL/FR
 fir needle oil siberiaFL/FR
 floral butanalFR
 floral pyranolFR
 frankincense oilFL/FR
 fresh carbaldehydeFR
 galbanum oilFL/FR
 gardenia absoluteFR
 gardenia oxideFR
 geraniolFL/FR
 geranium oil bourbonFL/FR
 geranyl acetateFL/FR
 geranyl acetoneFL/FR
 geranyl isobutyrateFL/FR
 grapefruit oil c.p. californiaFL/FR
 grapefruit pentanolFR
 green acetateFR
 green dioxolaneFR
 green etherFL/FR
 heliotropyl diethyl acetalFR
1-hepten-3-olFL/FR
 herbal undecanoneFR
(Z)-3-hexen-1-olFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl benzoateFL/FR
(Z)-3-hexen-1-yl formateFL/FR
(Z)-3-hexen-1-yl octanoateFL/FR
(Z)-3-hexen-1-yl salicylateFL/FR
(Z)-3-hexen-1-yl tiglateFL/FR
 hexyl 2-methyl butyrateFL/FR
 hexyl acetateFL/FR
alpha-hexyl cinnamaldehydeFL/FR
 hexyl tiglateFL/FR
 ho leaf oilFR
 hyacinth absoluteFL/FR
 hyacinth etherFR
 hydroxycitronellal diethyl acetalFL/FR
 ivy carbaldehyde / methyl anthranilate schiff's baseFR
 ivy dioxolaneFR
 jasmin cyclopentanolFR
 jonquil absoluteFR
 juniper berry oilFL/FR
 lavender absolute bulgariaFL/FR
 leaf acetalFL/FR
 leerallFR
 lemon oil c.p. californiaFL/FR
 lemongrass oilFL/FR
 lime oil distilled mexicoFL/FR
 linaloolFL/FR
laevo-linaloolFL/FR
 linalool oxideFL/FR
 linalyl acetateFL/FR
 litsea cubeba oilFL/FR
 marine hexaneFR
 marine pyridineFR
 melon heptenalFL/FR
 melon nonenoateFL/FR
 methyl 2-methyl valerateFL/FR
 methyl 2-undecynoateFL
 methyl benzoateFL/FR
 methyl benzyl disulfideFL
 methyl cyclocitroneFR
 methyl dihydrojasmonateFL/FR
 methyl heptenoneFL/FR
para-methyl hydratropaldehydeFL/FR
 methyl octine carbonateFL/FR
 methyl propyl trisulfideFL
2-methyl undecanal (aldehyde C-12 mna)FL/FR
 methyl undecylenateFL/FR
4-methyl-4-phenyl pentanoneFR
 mimosa absolute franceFL/FR
 muguet carboxaldehydeFR
 muguet octadienolFR
 muguet undecadienalFR
 nerolFL/FR
 neroli bigarde oil franceFL/FR
 nerolidolFL/FR
 neryl acetateFL/FR
(E,Z)-2,6-nonadien-1-alFL
(E,Z)-2,6-nonadien-1-olFL/FR
 nonanal (aldehyde C-9)FL/FR
 nopyl acetateFR
 ocean propanalFL/FR
 ocean propanal / methyl anthranilate schiff's baseFR
 octanal (aldehyde C-8)FL/FR
 octanal dimethyl acetalFL/FR
 octyl oxyacetaldehydeFR
 orange leaf absoluteFL/FR
 orange peel oil sweet c.p. brazilFL/FR
 orris pyridine 25% ipmFR
 papaya isobutyrateFL/FR
 patchouli ethanoneFR
 peach pivalateFR
 peony alcoholFR
 petitgrain oilFL/FR
 phenethyl acetateFL/FR
 phenethyl alcoholFL/FR
 phenethyl butyl etherFR
 phenyl acetaldehydeFL/FR
 phenyl acetaldehyde diisobutyl acetalFL/FR
3-phenyl propionaldehydeFL/FR
2-phenyl propionaldehyde ethylene glycol acetalFR
4-isopropyl quinolineFL/FR
isopropyl quinolineFR
 rhodinolFL/FR
 rose butanoateFL/FR
 spruce oil canadaFL/FR
 strawberry glycidate 1 (aldehyde C-16)FL/FR
 styralyl acetateFL/FR
 styralyl formateFL/FR
 sweet pea absoluteFR
 tagette carboxylateFR
alpha-terpineolFL/FR
(±)-alpha-terpinyl acetateFL/FR
 terpinyl isobutyrateFL/FR
 tetrahydrolinaloolFL/FR
 tetrahydromyrcenolFR
 tricyclodecenyl acetateFR
gamma-undecalactone (aldehyde C-14)FL/FR
10-undecen-1-al (aldehyde C-11 undecylenic)FL/FR
isovaleraldehyde propylene glycol acetalFL/FR
 vetiver oil haitiFL/FR
 violet leaf absoluteFL/FR
 violet methyl carbonateFR
 watermelon ketoneFR
 waxy aldehydeFR
 woody acetateFR
 woody amyleneFR
 woody propanolFR

Potential Uses :
 agate 
 agrumen 
 aldehydicFR
 alpine bouquet 
 amaryllis 
 apple crabapple 
 ash mountain ash 
 balsamFR
 bark 
 bean 
 bergamotFR
 blossom tropical blossom 
 boxwood 
 boxwood blossom 
 cajuputFL/FR
 calamusFR
 cedar forestFR
 celeryFL/FR
 cherry wildFL
 chrysanthemum chrysanthemeFR
 chypreFR
 cilantroFL/FR
 citrusFR
 clematisFR
 cloudberry bakeapple 
 cognacFR
 cologneFR
 cortex 
 cranberryFR
 daffodil narcissusFR
 diffusion 
 enhancer 
 ethereal 
 evergreenFR
 fantasy blends 
 fern fougereFR
 figFR
 fir balsamFR
 fir needle pine needleFL/FR
 floralFR
 flouveFR
 foliage 
 fungus mushroomFR
 gardeniaFR
 genet genista broomFR
 ginger whiteFR
 grass 
 greenFR
 heatherFR
 herbalFR
 hyacinth jacintheFR
 hydrangeaFR
 ivy leafFR
 jasminFR
 jonquil narcissus jonquillaFR
 kewda 
 autumnFR
 lemonFR
 lemongrassFR
 limeFR
 lotusFR
 meadow countryFR
 metallic 
 millefleurs 
 mintFR
 narcissus narcisseFR
 nutFL
 ocean sea 
 orchidFR
 orris irisFR
 outdoors freshFR
 pansyFR
 pear prickly pear 
 peonyFR
 pepper tabasco pepper 
 petitgrain limeFL/FR
 petuniaFR
 pineappleFR
 privet 
 privet blossom 
 rainFR
 reseda mignonetteFR
 rhubarbFR
 roseFR
 rose wild rose 
 saffronFR
 tea 
 tomatoFL
 topnotes 
 tuberoseFR
 tulipFR
 verbenaFR
 vine 
 watercress nasturtium 
 weedy 
 yewFR

Natural Occurrence in :    note
data pagechampaca concrete @ trace% S
data pageketaki flower oil india @ 66.20% S
data pagekewda oil @ 66.35-67.91% S
 pandanus odoratissimus S
 tagetes signata oil S



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