strawberry glycidate 2
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Notes :
Better than the aldehyde C-16.
 
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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:  Fruity, Strawberry, Green
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
SAFC Global® :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:
at 100.00 %.  		sweet strawberry berry floral tropical
Luebke, William tgsc, (1992)
odor sample from :International Flavors & Fragrances Inc.
odor description:
sweet, berry, strawberry, honey, floral and rosy
Mosciano, Gerard P&F 19, No. 3, 51, (1994)
taste description:
at 30.00 ppm.  		Sweet, fruity and berry with a dried fruit and floral nuance
Mosciano, Gerard P&F 19, No. 3, 51, (1994)
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 :
Category :flavor and fragrance agents
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 fragrance usage levels up to :
  10.0000 % in the fragrance concentrate.
recommendation for strawberry glycidate 2 flavor 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 cas# 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 :
CosIng :cosmetic data
RIFM :listed
FMA :listed
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
 ethyl 2,3-epoxy-3-phenyl propionate
 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
 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
 strawberry glycidate 2
soluble in :
 alcohol
insoluble in :
 water
stability :
 alcoholic lotion
 antiperspirant
 deo stick
 detergent perborate
 fabric softener
 liquid detergent
 shampoo
 soap
potential blenders :    note
 acetaldehyde methyl hexyl acetalFR
 acetyl methyl anthranilateFL/FR
 allyl tiglateFL
delta6-isoambrettolideFL/FR
isoamyl undecylenateFL/FR
para-anisyl alcoholFL/FR
 benzyl alcoholFL/FR
3-benzyl-4-heptanoneFL/FR
 berry hexanoateFR
 berry pentadienoateFL/FR
 blackberry thiophenoneFL/FR
 bois de rose oilFL/FR
 buchu mercaptanFL/FR
 butyl anthranilateFL/FR
isobutyl anthranilateFL/FR
 butyl benzyl etherFL/FR
 butyl hexanoateFL/FR
 butyl phenyl acetateFL/FR
 butyl valerateFL/FR
isobutyl-3-(methyl thio) butyrateFL/FR
 citronellalFL/FR
 citronellyl isovalerateFL/FR
 citronellyl phenyl acetateFL/FR
 citronellyl propionateFL/FR
 coranolFR
para-cresyl phenyl acetateFL/FR
 cubeb oilFL/FR
(E)-alpha-damasconeFL/FR
(E)-beta-damasconeFL/FR
(Z)-alpha-damasconeFL/FR
(Z)-beta-damasconeFL/FR
alpha-damasconeFL/FR
beta-damasconeFL/FR
gamma-damasconeFR
isodecanalFL/FR
(Z)-4-decen-1-yl acetateFL/FR
 dihydrocarvyl acetateFL/FR
 dihydrolinaloolFL/FR
3,6-dimethyl-3-octanolFL/FR
 ethyl 2-hydroxy-3-methyl valerateFL/FR
 ethyl 3-oxohexanoateFL
 ethyl hydrocinnamateFL/FR
 ethyl levulinateFL/FR
 ethyl linaloolFR
 ethyl linalyl acetalFR
 ethyl linalyl acetateFR
 ethyl linalyl etherFL/FR
 ethyl maltolFL/FR
 ethyl methyl-para-tolyl glycidateFL/FR
 ethyl phenyl acetateFL/FR
(E)-ethyl tiglateFL/FR
 farnesyl acetateFL/FR
 floral pyranFR
 fruity ketalFL/FR
 geranyl acetateFL/FR
(E)-geranyl linaloolFL/FR
 geranyl phenyl acetateFL/FR
 globulol 
 hawthorn ethanolFR
 heliotropyl acetateFL/FR
 heliotropyl isobutyrateFL/FR
2-heptyl tetrahydrofuranFR
(Z)-3-hexen-1-yl 2-methyl butyrateFL/FR
(Z)-3-hexen-1-yl phenyl acetateFL/FR
 hexyl isovalerateFL/FR
 ho leaf oilFR
 ho wood oilFR
beta-iononeFL/FR
beta-ionone epoxideFL/FR
 leather propionateFR
 linaloolFL/FR
dextro-linaloolFL/FR
laevo-linaloolFL/FR
 linalool oxideFL/FR
 linalyl anthranilateFL/FR
 linalyl phenyl acetateFL/FR
 maltyl isobutyrateFL/FR
dextro,laevo-menthyl acetateFL/FR
 methyl (E)-cinnamateFL/FR
 methyl 10-undecenalFL/FR
 methyl 2-methyl valerateFL/FR
 methyl cinnamateFL/FR
 methyl heptanoateFL/FR
2-methyl octanalFL/FR
 methyl propionateFL/FR
2-methyl-2-pentenoic acidFL/FR
 musk acetateFR
 nerolin fragarolFL/FR
 neryl acetateFL/FR
 neryl isobutyrateFL/FR
 neryl isovalerateFL/FR
 nonanal diethyl acetalFL/FR
 nonanolFL/FR
(E)-5-nonen-2-oneFL
3-nonen-2-oneFL/FR
(E)-2-octen-1-yl butyrateFL/FR
(E)-2-octen-4-olFL
 octyl isovalerateFL/FR
 octyl phenyl acetateFL/FR
 orris root resinoidFL/FR
 osmanthus absoluteFL/FR
 phenethyl acetateFL/FR
 phenethyl anthranilateFL/FR
 phenethyl butyrateFL/FR
 phenethyl furoateFL/FR
 phenethyl phenyl acetateFL/FR
 phenethyl salicylateFL/FR
 phenyl acetaldehydeFL/FR
 phenyl acetaldehyde digeranyl acetalFR
 phenyl acetic acidFL/FR
3-phenyl propyl isovalerateFL/FR
 phenyl propyl valerateFL/FR
isopropenyl acetateFL/FR
 propyl formateFL/FR
 propyl heptanoateFL/FR
 rose acetateFR
 rose carboxylateFR
laevo-rose oxideFL/FR
 strawberry furanoneFL/FR
 strawberry glycidate 1FL/FR
 strawberry notes 
 styralyl butyrateFL/FR
 styralyl propionateFL/FR
 tetrahydroionyl acetateFR
 tetrahydrolinaloolFL/FR
 thiogeraniolFL/FR
(E)-2-undecen-1-olFL/FR
2-undecen-1-olFL/FR
 valeraldehydeFL/FR
 vanilla carboxylateFL/FR
 waxy acetateFR
potential uses :
 banana
 currant
 fruit
 honey miel
 jam
 plum
 strawberry
natural occurrence in :    note
 not found in nature  

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