strawberry glycidate 2
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Notes :
Better than the aldehyde C-16.
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :ethyl 3-phenyloxirane-2-carboxylate
InChI :InChI=1/C11H12O3/c1-2-13-11(12)10-9(14-10)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H3
InChIKey :GOMAKLPNAAZVCJ-UHFFFAOYAL
SMILES :CCOC(=O)C1C(O1)C2=CC=CC=C2
cas number :121-39-1
(EINECS) number :204-467-3
beilstein number :0163394
fema number :2454
coe number :11844
jecfa number :1576
fl. number :16.018
molar refractivity :50.85 ± 0.3 cm3
parachor :416.2 ± 6.0 cm3
index of refraction :1.538 ± 0.02
surface tension :42.9 ± 3.0 dyne/cm
density :1.182 ± 0.06 g/cm3
polarizability :20.16 ± 0.5 10-24cm3
XlogP : 1.90
molecular weight : 192.2111800 (IUPAC)
formula :C11 H12 O3
BioActivity Analysis :74513
NMR Predictor :Predict
 
 
IUPAC name :ethyl (2R,3R)-3-phenyloxirane-2-carboxylate
InChI :InChI=1/C11H12O3/c1-2-13-11(12)10-9(14-10)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H3/t9-,10-/m1/s1
InChIKey :GOMAKLPNAAZVCJ-NXEZZACHBL
SMILES :CCOC(=O)[C@H]1[C@H](O1)C2=CC=CC=C2
cas number :121-39-1  (RR)
molar refractivity :50.85 ± 0.3 cm3
parachor :416.2 ± 6.0 cm3
index of refraction :1.538 ± 0.02
surface tension :42.9 ± 3.0 dyne/cm
density :1.182 ± 0.06 g/cm3
polarizability :20.16 ± 0.5 10-24cm3
XlogP : 1.90
molecular weight : 192.2111800 (IUPAC)
formula :C11 H12 O3
NMR Predictor :Predict
 
 
IUPAC name :ethyl (2R,3S)-3-phenyloxirane-2-carboxylate
InChI :InChI=1/C11H12O3/c1-2-13-11(12)10-9(14-10)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H3/t9-,10+/m0/s1
InChIKey :GOMAKLPNAAZVCJ-VHSXEESVBE
SMILES :CCOC(=O)[C@H]1[C@@H](O1)C2=CC=CC=C2
cas number :121-39-1  (RS)
molar refractivity :50.85 ± 0.3 cm3
parachor :416.2 ± 6.0 cm3
index of refraction :1.538 ± 0.02
surface tension :42.9 ± 3.0 dyne/cm
density :1.182 ± 0.06 g/cm3
polarizability :20.16 ± 0.5 10-24cm3
XlogP : 1.90
molecular weight : 192.2111800 (IUPAC)
formula :C11 H12 O3
NMR Predictor :Predict
 
 
IUPAC name :ethyl (2S,3R)-3-phenyloxirane-2-carboxylate
InChI :InChI=1/C11H12O3/c1-2-13-11(12)10-9(14-10)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H3/t9-,10+/m1/s1
InChIKey :GOMAKLPNAAZVCJ-ZJUUUORDBK
SMILES :CCOC(=O)[C@@H]1[C@H](O1)C2=CC=CC=C2
cas number :2272-55-1
molar refractivity :50.85 ± 0.3 cm3
parachor :416.2 ± 6.0 cm3
index of refraction :1.538 ± 0.02
surface tension :42.9 ± 3.0 dyne/cm
density :1.182 ± 0.06 g/cm3
polarizability :20.16 ± 0.5 10-24cm3
XlogP : 1.90
molecular weight : 192.2111800 (IUPAC)
formula :C11 H12 O3
NMR Predictor :Predict
 
 
IUPAC name :ethyl (2S,3S)-3-phenyloxirane-2-carboxylate
InChI :InChI=1/C11H12O3/c1-2-13-11(12)10-9(14-10)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H3/t9-,10-/m0/s1
InChIKey :GOMAKLPNAAZVCJ-UWVGGRQHBT
SMILES :CCOC(=O)[C@@H]1[C@@H](O1)C2=CC=CC=C2
cas number :121-39-1  (SS)
molar refractivity :50.85 ± 0.3 cm3
parachor :416.2 ± 6.0 cm3
index of refraction :1.538 ± 0.02
surface tension :42.9 ± 3.0 dyne/cm
density :1.182 ± 0.06 g/cm3
polarizability :20.16 ± 0.5 10-24cm3
XlogP : 1.90
molecular weight : 192.2111800 (IUPAC)
formula :C11 H12 O3
NMR Predictor :Predict
 
 
export tariff code :2915.50.3000
fda reg :172.515
Suppliers :
Berje :Ethyl Phenyl Glycidate
IFF :Ethyl Phenyl Glycidate
≥98% (sum of esters)
Odor:  Has a sweet strawberry note, but is sweeter and finer than ETHYL METHYL PHENYL GLYCIDATE.
Inoue :ETHYL PHENYL GLYCIDATE
John D. Walsh :Ethyl Phenyl Glycidate
Penta :ethyl 3-phenyl glycidate
Sigma-Aldrich-SAFC :Ethyl 3-phenylglycidate
≥92%, mixture of cis and trans, FG
Odor:  caramel; strawberry
Vigon :Ethyl Phenyl Glycidate
Odor:  STRONG, FRUITY
organoleptics :
odor type :fruity
odor strength :medium
odor description :¹
at 100.00 %.  		sweet strawberry berry floral tropical
odor sample from :International Flavors & Fragrances Inc.
substantivity :312  Hour(s)
properties :
appearence :colorless to pale yellow clear liquid
assay : 97.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :Yes
specific gravity :1.11900 to 1.12700 @ 25.00 °C.
pounds per gallon - calc. : 9.311 to 9.378
specific gravity :1.12000 to 1.12800 @ 20.00 °C.
pounds per gallon - calc. : 9.330 to 9.397
refractive index :1.51500 to 1.52000 @ 20.00 °C.
boiling point : 96.00 °C. @ 0.50 mm Hg
acid value : 1.00  max.  KOH/g
flash point :> 212.00  °F.  TCC  ( > 100.00 °C. )
logP (o/w) : 1.89
safety :
most important hazard(s) :Xi - Irritant
  R 36 - Irritating to eyes.
R 52/53 - Harmful to qauatic organisms, may cause long-term adverse effects in the aquatic environment.
S 02 - Keep out of the reach of children.
S 25 - Avoid contact with 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.
S 61 - Avoid release to the environment. Refer to special instructions/safety data sheet.
Human experience : 4 % solution: no irritation or sensitization.
Oral Toxicity(LD50) :
  Oral-Rat    <5000.00  mg/kg
(Shelanski & Moldovan, 1973d)

Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 
safety in use :
Maximised Survey-derived Daily Intakes (MSDI-EU) :97.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :96.00 (μg/capita/day)
Structure Class :III
 
recommendation for strawberry glycidate 2 usage levels up to :
  10.0000 % in the fragrance concentrate.
recommendation for strawberry glycidate 2 usage levels up to :
  70.0000 ppm in the flavor.
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
NLM Hazardous Substances Data Bank :search
Chemical Carcinogenesis Research Information System :Search
Cancer Citations :Search
Toxicology Citations :Search
Env. Mutagen Info. Center :Search
National Toxicology Program :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :3
 
 
 
 ethyl 3-phenyloxirane-2-carboxylate
(EINECS) number :204-467-3
RTECS :MB4970000 for 121-39-1
chemidplus :000121391
EPA/NOAA CAMEO :hazardous materials
EPA Substance Registry Services :121-39-1
dtp/nci :8899
 ethyl (2R,3R)-3-phenyloxirane-2-carboxylate
 ethyl (2R,3S)-3-phenyloxirane-2-carboxylate
 
 
 ethyl (2S,3R)-3-phenyloxirane-2-carboxylate
chemidplus :2272-55-1
EPA Substance Registry Services :2272-55-1
dtp/nci :82271
 ethyl (2S,3S)-3-phenyloxirane-2-carboxylate
references :
 ethyl 3-phenyloxirane-2-carboxylate
fl. number :16.018
jecfa number :1576
NIST Chemistry WebBook :1397561291
pubchem :151627
 ethyl (2R,3R)-3-phenyloxirane-2-carboxylate
pubchem :35396986
 ethyl (2R,3S)-3-phenyloxirane-2-carboxylate
pubchem :35396989
 ethyl (2S,3R)-3-phenyloxirane-2-carboxylate
pubchem :120976
 ethyl (2S,3S)-3-phenyloxirane-2-carboxylate
pubchem :35396991
Cosmetics :
Cosmetic uses : perfuming agents
other :
reference : Luebke, William tgsc, (1992)¹
CosIng :cosmetic data
synonyms :
 ethyl 2,3-epoxy-3-phenyl propionate
 ethyl 3-phenyl glycidate
 ethyl 3-phenyl oxirane carboxylate
 ethyl 3-phenyl oxirane-2-carboxylate
 ethyl 3-phenyloxirane-2-carboxylate
 ethyl alpha,beta-epoxy-beta-phenyl propionate
 ethyl alpha,beta-epoxyhydrocinnamate
 ethyl phenyl glycidate
 ethyl-3-phenyl glycidate
2-ethyl-3-phenyl glycidate
 ethyl-3-phenyl-2,3-epoxypropionate
 glycolic acid 2-phenyl:ethyl ester
3-phenyl glycidic acid ethyl ester
3-phenyl oxirane carboxylic acid ethyl ester
soluble in :
 alcohol
insoluble in :
 water
stability :
 alcoholic lotion
 antiperspirant
 deo stick
 detergent perborate
 fabric softener
 liquid detergent
 shampoo
 soap
(odor and/or flavor) blends with :
 acetaldehyde methyl hexyl acetal
 acetyl methyl anthranilate
 allyl tiglate
delta6-isoambrettolide
isoamyl undecylenate
para-anisyl alcohol
 benzyl alcohol
3-benzyl-4-heptanone
 berry hexanoate
 berry pentadienoate
 blackberry thiophenone
 bois de rose oil
 buchu mercaptan
 butyl anthranilate
isobutyl anthranilate
 butyl benzyl ether
 butyl hexanoate
 butyl phenyl acetate
 butyl valerate
isobutyl-3-(methyl thio) butyrate
 citronellal
 citronellyl isovalerate
 citronellyl phenyl acetate
 citronellyl propionate
 coranol
para-cresyl phenyl acetate
 cubeb oil
(E)-alpha-damascone
(E)-beta-damascone
(Z)-alpha-damascone
(Z)-beta-damascone
alpha-damascone
beta-damascone
gamma-damascone
isodecanal
(Z)-4-decen-1-yl acetate
 dihydrocarvyl acetate
 dihydrolinalool
3,6-dimethyl-3-octanol
 ethyl 2-hydroxy-3-methyl valerate
 ethyl 3-oxohexanoate
 ethyl hydrocinnamate
 ethyl levulinate
 ethyl linalool
 ethyl linalyl acetal
 ethyl linalyl acetate
 ethyl linalyl ether
 ethyl maltol
 ethyl methyl-para-tolyl glycidate
 ethyl phenyl acetate
(E)-ethyl tiglate
 farnesyl acetate
 floral pyran
 fruity ketal
 geranyl acetate
(E)-geranyl linalool
 geranyl phenyl acetate
 globulol
 hawthorn ethanol
 heliotropyl acetate
 heliotropyl isobutyrate
2-heptyl tetrahydrofuran
(Z)-3-hexen-1-yl 2-methyl butyrate
(Z)-3-hexen-1-yl phenyl acetate
 hexyl isovalerate
 ho leaf oil
 ho wood oil
beta-ionone
beta-ionone epoxide
 leather propionate
 linalool
dextro-linalool
laevo-linalool
 linalool oxide
 linalyl anthranilate
 linalyl phenyl acetate
 maltyl isobutyrate
dextro,laevo-menthyl acetate
 methyl (E)-cinnamate
 methyl 10-undecenal
 methyl 2-methyl valerate
 methyl cinnamate
 methyl heptanoate
2-methyl octanal
 methyl propionate
2-methyl-2-pentenoic acid
 musk acetate
 nerolin fragarol
 neryl acetate
 neryl isobutyrate
 neryl isovalerate
 nonanal diethyl acetal
 nonanol
(E)-5-nonen-2-one
3-nonen-2-one
(E)-2-octen-1-yl butyrate
(E)-2-octen-4-ol
 octyl isovalerate
 octyl phenyl acetate
 orris root resinoid
 osmanthus absolute
 phenethyl acetate
 phenethyl anthranilate
 phenethyl butyrate
 phenethyl furoate
 phenethyl phenyl acetate
 phenethyl salicylate
 phenyl acetaldehyde
 phenyl acetaldehyde digeranyl acetal
 phenyl acetic acid
3-phenyl propyl isovalerate
 phenyl propyl valerate
isopropenyl acetate
 propyl formate
 propyl heptanoate
 rose acetate
 rose carboxylate
laevo-rose oxide
 strawberry furanone
 strawberry glycidate 1
 strawberry notes
 styralyl butyrate
 styralyl propionate
 tetrahydroionyl acetate
 tetrahydrolinalool
 thiogeraniol
(E)-2-undecen-1-ol
2-undecen-1-ol
 valeraldehyde
 vanilla carboxylate
 waxy acetate
(odor and/or flavor) used in :
 banana
 currant
 fruit
 honey miel
 jam
 plum
 strawberry
natural occurrence in :
not found in nature



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