strawberry glycidate 1 (aldehyde C-16)
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Notes :
Blends well with aldehydes, ionones, woody and fruity lactones. waxy floral fruity accord: 0.05 - leerall 0.01 - aldehyde C-14 0.05 - aldehyde C18 10% 0.01 - musk gx 0.01 - raspberry ketone 10% 0.01 - aldehyde C-16 10% rose accord: 0.01 - dihydromyrcenol 0.05 - benzyl propionate 0.05 - linalyl acetate 0.05 - phenethyl alcohol 0.01 - aldehyde C-14 10% 0.20 - amyl cinnamaldehyde 0.01 - ma/hy shiff 0.05 - naphthyl ethyl ether 0.01 - aldehyde C-16 10% 0.05 - geraniol
 
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IUPAC name :ethyl 3-methyl-3-phenyloxirane-2-carboxylate
InChI :InChI=1/C12H14O3/c1-3-14-11(13)10-12(2,15-10)9-7-5-4-6-8-9/h4-8,10H,3H2,1-2H3
InChIKey :LQKRYVGRPXFFAV-UHFFFAOYAI
SMILES :CCOC(=O)C1C(O1)(C)C2=CC=CC=C2
cas number :77-83-8
(EINECS) number :201-061-8
beilstein number :0012299
fema number :2444
coe number :6002
jecfa number :1577
fl. number :16.015
molar refractivity :55.46 ± 0.3 cm3
parachor :454.6 ± 6.0 cm3
index of refraction :1.524 ± 0.02
surface tension :39.7 ± 3.0 dyne/cm
density :1.139 ± 0.06 g/cm3
polarizability :21.98 ± 0.5 10-24cm3
XlogP : 2.00
molecular weight : 206.2377600 (IUPAC)
formula :C12 H14 O3
BioActivity Analysis :88138
NMR Predictor :Predict
 
 
IUPAC name :ethyl (2R,3R)-3-methyl-3-phenyloxirane-2-carboxylate
InChI :InChI=1/C12H14O3/c1-3-14-11(13)10-12(2,15-10)9-7-5-4-6-8-9/h4-8,10H,3H2,1-2H3/t10-,12+/m0/s1
InChIKey :LQKRYVGRPXFFAV-CMPLNLGQBP
SMILES :CCOC(=O)[C@H]1[C@@](O1)(C)C2=CC=CC=C2
cas number :77-83-8  (RR)
molar refractivity :55.46 ± 0.3 cm3
parachor :454.6 ± 6.0 cm3
index of refraction :1.524 ± 0.02
surface tension :39.7 ± 3.0 dyne/cm
density :1.139 ± 0.06 g/cm3
polarizability :21.98 ± 0.5 10-24cm3
XlogP : 2.00
molecular weight : 206.2377600 (IUPAC)
formula :C12 H14 O3
NMR Predictor :Predict
 
 
IUPAC name :ethyl (2R,3S)-3-methyl-3-phenyloxirane-2-carboxylate
InChI :InChI=1/C12H14O3/c1-3-14-11(13)10-12(2,15-10)9-7-5-4-6-8-9/h4-8,10H,3H2,1-2H3/t10-,12-/m0/s1
InChIKey :LQKRYVGRPXFFAV-JQWIXIFHBZ
SMILES :CCOC(=O)[C@H]1[C@](O1)(C)C2=CC=CC=C2
cas number :19464-95-0
molar refractivity :55.46 ± 0.3 cm3
parachor :454.6 ± 6.0 cm3
index of refraction :1.524 ± 0.02
surface tension :39.7 ± 3.0 dyne/cm
density :1.139 ± 0.06 g/cm3
polarizability :21.98 ± 0.5 10-24cm3
XlogP : 2.00
molecular weight : 206.2377600 (IUPAC)
formula :C12 H14 O3
NMR Predictor :Predict
 
 
IUPAC name :ethyl (2S,3R)-3-methyl-3-phenyloxirane-2-carboxylate
InChI :InChI=1/C12H14O3/c1-3-14-11(13)10-12(2,15-10)9-7-5-4-6-8-9/h4-8,10H,3H2,1-2H3/t10-,12-/m1/s1
InChIKey :LQKRYVGRPXFFAV-ZYHUDNBSBU
SMILES :CCOC(=O)[C@@H]1[C@@](O1)(C)C2=CC=CC=C2
cas number :77-83-8  (SR)
molar refractivity :55.46 ± 0.3 cm3
parachor :454.6 ± 6.0 cm3
index of refraction :1.524 ± 0.02
surface tension :39.7 ± 3.0 dyne/cm
density :1.139 ± 0.06 g/cm3
polarizability :21.98 ± 0.5 10-24cm3
XlogP : 2.00
molecular weight : 206.2377600 (IUPAC)
formula :C12 H14 O3
NMR Predictor :Predict
 
 
IUPAC name :ethyl (2S,3S)-3-methyl-3-phenyloxirane-2-carboxylate
InChI :InChI=1/C12H14O3/c1-3-14-11(13)10-12(2,15-10)9-7-5-4-6-8-9/h4-8,10H,3H2,1-2H3/t10-,12+/m1/s1
InChIKey :LQKRYVGRPXFFAV-PWSUYJOCBF
SMILES :CCOC(=O)[C@@H]1[C@](O1)(C)C2=CC=CC=C2
cas number :77-83-8  (SS)
molar refractivity :55.46 ± 0.3 cm3
parachor :454.6 ± 6.0 cm3
index of refraction :1.524 ± 0.02
surface tension :39.7 ± 3.0 dyne/cm
density :1.139 ± 0.06 g/cm3
polarizability :21.98 ± 0.5 10-24cm3
XlogP : 2.00
molecular weight : 206.2377600 (IUPAC)
formula :C12 H14 O3
NMR Predictor :Predict
 
 
export tariff code :2918.90.6000
fda reg :182.60
Suppliers :
Berje :Aldehyde C-16
Citrus and Allied Essences :aldehyde C-16
FCC
Odor:  fruity suggestive of strawberry
Elan :aldehyde C-16
FCC, Kosher
Fleurchem :aldehyde C-16
Fontarome :ETHYL METHYL PHENYL GLYCIDATE
Givaudan :Strawberry Pure
Odor:  Fruity, Strawberry, Powerful
John D. Walsh :Aldehyde C-16
Moellhausen :aldehyde C16
98% min. artifical kosher
Odor:  strongly fruity, aromatic; reminiscent of strawberry
Flavor:  fruity, strawberry, fermenty, honey
Penta :aldehyde C-16
Polarome :ALDEHYDE C16
"SO CALLED" FCC
Sigma-Aldrich-SAFC :Ethyl 3-methyl-3-phenylglycidate
≥98%, Kosher
Odor:  strawberry; sweet
Ungerer :Ethyl Methyl Phenyl Glycidate
Vigon :Aldehyde C-16 Ethyl Methyl Phenyl Glycidate
Odor:  STRONG, FRUITY, STRAWBERRY-LIKE
organoleptics :
odor type :fruity
odor strength :medium
odor description :¹
at 100.00 %.  		sweet fruity strawberry floral honey fatty
odor sample from :Givaudan Corporation
substantivity :241 hour(s) at 100.00 %
properties :
appearence :colorless to pale yellow clear liquid
assay : 98.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :Yes
specific gravity :1.08600 to 1.11200 @ 25.00 °C.
pounds per gallon - calc. : 9.037 to 9.253
refractive index :1.49900 to 1.51200 @ 20.00 °C.
boiling point : 272.00 to 275.00 °C. @ 760.00 mm Hg
acid value : 2.00  max.  KOH/g
flash point :> 200.00  °F.  TCC  ( > 93.33 °C. )
logP (o/w) : 3.00
shelf life : 12.00 month(s) or longer if stored properly.
storage :refrigerate in tightly sealed containers.
 moisture Sensitive.
safety :
most important hazard(s) :Xi N - Irritant, Dangerous for the environment.
  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 : 1 % solution: no irritation or sensitization.
Oral Toxicity(LD50) :
  Oral-Rat   [sex: M,F]  5470.00  mg/kg
(Jenner et al., 1964)

Oral-Rat    5000.00  mg/kg
(Levenstein, 1976g)

Oral-Rat    5470.00  mg/kg
(Bär & Griepentrog, 1967)

Oral-Guineapig   [sex: M,F]  4050.00  mg/kg
(Jenner et al., 1964)

Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 
safety in use :
Maximised Survey-derived Daily Intakes (MSDI-EU) :205.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :1840.00 (μg/capita/day)
Structure Class :III
 
recommendation for strawberry glycidate 1 (aldehyde C-16) usage levels up to :
  15.0000 % in the fragrance concentrate.
recommendation for strawberry glycidate 1 (aldehyde C-16) usage levels up to :
  470.0000 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...
msds :msds
EPI System :view
NLM Hazardous Substances Data Bank :search
Chemical Carcinogenesis Research Information System :Search
Cancer Citations :Search
Toxicology Citations :Search
Carcinogenic Potency Database :Search
Env. Mutagen Info. Center :Search
NLM Developmental and Reproductive Toxicity :Search
National Toxicology Program :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
WISER :UN 1993
 
WGK Germany :3
 
 
 
 ethyl 3-methyl-3-phenyloxirane-2-carboxylate
(EINECS) number :201-061-8
RTECS :MW5250000 for 77-83-8
chemidplus :000077838
EPA/NOAA CAMEO :hazardous materials
EPA Substance Registry Services :77-83-8
dtp/nci :27905
 ethyl (2R,3R)-3-methyl-3-phenyloxirane-2-carboxylate
 
 
 ethyl (2R,3S)-3-methyl-3-phenyloxirane-2-carboxylate
chemidplus :19464-95-0
EPA Substance Registry Services :19464-95-0
 ethyl (2S,3R)-3-methyl-3-phenyloxirane-2-carboxylate
 ethyl (2S,3S)-3-methyl-3-phenyloxirane-2-carboxylate
references :
 ethyl 3-methyl-3-phenyloxirane-2-carboxylate
fl. number :16.015
jecfa number :1577
NIST Chemistry WebBook :4000957641
pubchem :149464
 ethyl (2R,3R)-3-methyl-3-phenyloxirane-2-carboxylate
pubchem :43595843
 ethyl (2R,3S)-3-methyl-3-phenyloxirane-2-carboxylate
pubchem :43595841
 ethyl (2S,3R)-3-methyl-3-phenyloxirane-2-carboxylate
pubchem :43595844
 ethyl (2S,3S)-3-methyl-3-phenyloxirane-2-carboxylate
pubchem :43595842
Cosmetics :
Cosmetic uses : perfuming agents
viscosity controlling agents
other :
reference : Luebke, William tgsc, (1981)¹
CosIng :cosmetic data
 C of A
synonyms :
 aldehyde C-16
2,3-epoxy-3-phenyl butyric acid ethyl ester
alpha,beta-epoxy-beta-methyl hydrocinnamic acid ethyl ester
 ethyl 2,3-epoxy-2-methyl-3-phenyl propionate
 ethyl 2,3-epoxy-3-methyl-3-phenyl propionate
 ethyl 2,3-epoxy-3-phenyl butanoate
 ethyl 3-methyl-3-phenyl glycidate
 ethyl 3-methyl-3-phenyl oxirane carboxylate
 ethyl 3-methyl-3-phenyloxirane-2-carboxylate
 ethyl alpha,beta-epoxy-beta-methyl hydrocinnamate
 ethyl alpha,beta-epoxy-beta-methyl phenyl propionate
 ethyl methyl phenyl glycidate
 ethyl methylphenylglycidate
 ethyl(methyl phenyl)glycidate
3-methyl-3-phenyl glycidic acid ethyl ester
3-methyl-3-phenyl oxirane carboxylic acid ethyl ester
 strawberry aldehyde
soluble in :
 benzyl alcohol
 ethyl alcohol, 1:2 80 % alcohol
 ethyl alcohol, 4 parts of 70% alcohol
 fixed oils
 paraffin oil, slightly
 propylene glycol
insoluble in :
 water
 glycerin
stability :
 cream
 detergent powder
 hair spray
 household product
 lotion
 non-discoloring
 powder
 soap
(odor and/or flavor) blends with :
 acetaldehyde methyl hexyl acetal
1-acetyl cyclohexyl acetate
 acetyl methyl anthranilate
 allyl cyclohexyl propionate
 allyl tiglate
delta6-isoambrettolide
isoamyl phenyl acetate
isoamyl salicylate
 amyris wood oil
 beeswax absolute
 benzyl cinnamate
3-benzyl-4-heptanone
 berry hexanoate
 berry pentadienoate
 blackberry thiophenone
 bois de rose oil
 buchu mercaptan
 butyl anthranilate
isobutyl anthranilate
 butyl hexanoate
isobutyl-3-(methyl thio) butyrate
 cassia bark oil
 cocoa butenal
 cocoa pentenal
 coranol
 coriander seed oil
 cubeb oil
 cyclamen aldehyde
alpha-damascone
gamma-decalactone
 decanal
 decanol
 decyl formate
 dihydrojasmone
 dihydrolinalool
 dihydromyrcenol
 dimethyl anthranilate
 dimethyl benzyl carbinyl acetate
 dimethyl benzyl carbinyl butyrate
3,6-dimethyl-3-octanol
 ethyl 2-hydroxy-3-methyl valerate
 ethyl 3-oxohexanoate
 ethyl cinnamate
 ethyl levulinate
 ethyl linalool
 ethyl linalyl acetal
 ethyl linalyl acetate
 ethyl linalyl ether
 ethyl maltol
 ethyl methyl-para-tolyl glycidate
 ethyl phenyl acetate
 ethyl vanillin
isoeugenyl phenyl acetate
 fir balsam absolute
 floral pyranol
 fruity ketal
 gardenia oxide
 green acetate
 heliotropyl acetate
 heliotropyl acetone
 heliotropyl isobutyrate
(Z)-3-hexen-1-yl 2-methyl butyrate
 hexyl 2-methyl butyrate
 hexyl isovalerate
 ho leaf oil
 ho wood oil
 hyacinth acetal
 hyacinth ether
 immortelle absolute
beta-ionone
beta-ionone epoxide
 ionones
 leather propionate
 leerall
 lilyall
 linalool
dextro-linalool
laevo-linalool
 linalool oxide
 linalyl anthranilate
 maltyl isobutyrate
dextro,laevo-menthyl acetate
 methyl (E)-cinnamate
 methyl 2-methyl valerate
 methyl cinnamate
 methyl dihydrojasmonate
 methyl heptanoate
 methyl heptine carbonate
 methyl ionones
 methyl phenyl acetate
 methyl propionate
2-methyl-2-pentenoic acid
4-methyl-4-phenyl pentanone
 nerolin fragarol
 neryl isobutyrate
gamma-nonalactone
 nonanal
 nonanol
(Z)-6-nonen-1-al
(E)-5-nonen-2-one
3-nonen-2-one
 ocean propanal
(E)-2-octen-1-yl butyrate
(E)-2-octen-4-ol
 octyl phenyl acetate
 osmanthus absolute
 phenethyl butyrate
3-phenyl propyl formate
3-phenyl propyl isovalerate
 phenyl propyl valerate
isopropenyl acetate
 propyl formate
 propyl heptanoate
isopropyl phenyl acetate
 raspberry ketone
 rhodinyl phenyl acetate
 rose absolute
 rose butanoate
 rose carboxylate
 santall
 strawberry
 strawberry furanone
 strawberry glycidate 2
 styralyl acetate
 styralyl butyrate
 tetrahydroionyl acetate
 tetrahydrolinalool
 thiogeraniol
gamma-undecalactone
10-undecen-1-al
 valeraldehyde
 vanilla absolute
 vanilla carboxylate
 verymoss
(odor and/or flavor) used in :
 acacia
 aldehydic
 almond
 angel
 apple
 apple green apple
 apple red apple
 apricot
 blackberry
 blueberry
 butterscotch
 cassie acacia farnesiana
 cherry
 cherry blossom
 christmas blends
 citrus
 civet
 cranberry
 cyclamen
 decumaria
 floral
 grape
 hibiscus
 hyacinth jacinthe
 jasmin
 kiwi
 lilac lilas syringa
 lily
 melon watermelon muskmelon cantaloupe
 mulberry
 orange blossom fleur d'oranger
 papaya
 passion fruit
 peach
 peach blossom
 pineapple
 plum
 potpourri
 raspberry
 raspberry black raspberry
 rose
 rose centifolia
 spice
 strawberry
 tutti frutti
 vanilla
 violet
 warm
 zibeline
natural occurrence in :
not found in nature


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