phenethyl tiglate
Notes :
Fixer blender in floral and herbal types.
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :2-cyclohexylethyl (E)-2-methylbut-2-enoate
InChI :InChI=1/C13H16O2/c1-3-11(2)13(14)15-10-9-12-7-5-4-6-8-12/h3-8H,9-10H2,1-2H3/b11-3+
InChIKey :KVMWYGAYARXPOL-QDEBKDIKBQ
(EINECS) number :259-774-5
cas number :55719-85-2
beilstein number :2523411
fema number :2870
coe number :2186
jecfa number :997
fl. number :09.496
molar refractivity :60.64 ± 0.3 cm3
parachor :490.9 ± 4.0 cm3
index of refraction :1.513 ± 0.02
surface tension :35.1 ± 3.0 dyne/cm
density :1.012 ± 0.06 g/cm3
polarizability :24.04 ± 0.5 10-24cm3
xlogp : 3.10
molecular weight : 204.2649400
formula :C13 H16 O2
 
 
export tariff code :2916.19.6000
fda reg :unspecified
 

Suppliers :
Bedoukian Research :PHENYL ETHYL TIGLATE
≥98.0%, Kosher
Cargill - Alfrebro :PHENETHYL TIGLATE
natural, Kosher
Sigma-Aldrich-SAFC :Phenethyl tiglate
≥94%, Kosher

organoleptics :
odor type :green
odor strength :medium
odor description :
at 100.00 %.  
green sweet rose natural oily leaf herbal
substantivity :240  Hour(s)

properties :
appearence :colorless clear oily liquid
assay : 96.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.01000 to 1.01700 @ 25.00 °C.
pounds per gallon - calc. : 8.404 to 8.462
refractive index :1.51000 to 1.51600 @ 20.00 °C.
boiling point : 139.00 to 140.00 °C. @ 7.00 mm Hg
boiling point : 259.00 °C. @ 760.00 mm Hg
logp : 4.06

safety :
most important hazard(s) : Xi - Irritant
Oral Toxicity(LD50) : Oral-Rat    >5000.00  mg/kg    (Levenstein, 1974e)
Dermal Toxicity(LD50) : Skin-Rabbit  >5.00  gm/kg    
Maximised Survey-derived Daily Intakes (MSDI-EU) :0.24 (μg/capita/day)
flash point ( Deg. F. ) : 215.00  °F.  TCC  ( 101.67 °C. )
recommendation for phenethyl tiglate usage levels up to :
  6.0000 % in the fragrance concentrate.
recommendation for phenethyl tiglate usage levels up to :
  25.0000 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
 
 
 2-cyclohexylethyl (E)-2-methylbut-2-enoate
(EINECS) number :259-774-5
RTECS :EM9255000 for 55719-85-2
chemidplus :055719852
EPA Substance Registry Services :55719-85-2
NLM Chemical Carcinogenesis Research Information System :55719-85-2
NLM Developmental and Reproductive Toxicity :55719-85-2
NLM Env. Mutagen Info. Center :55719-85-2
NLM GENetic TOXicology :55719-85-2
dtp/nci :69122

references :
 2-cyclohexylethyl (E)-2-methylbut-2-enoate
jecfa number :997
fl. number :09.496
pubchem :182273
NIST Chemistry WebBook :4276945164

other :
synonyms :
 benzyl carbinyl tiglate
(E)-2-methyl-2-butenoic acid 2-phenethyl ester
(E)-2-methyl-2-butenoic acid 2-phenyl ethyl ester
 phenethyl 2-methyl crotonate
(E)-2-phenethyl 2-methyl-2-butenoate
 phenethyl tiglate
 phenethyl-alpha-methyl butenoate
 phenyl ethyl (2E)-2-methyl-2-butenoate
(E)-2-phenyl ethyl 2-methyl-2-butenoate
 phenyl ethyl tiglate
2-phenyl ethyl tiglate
2-phenyl ethyl trans-2-methyl butenoate
2-phenyl ethyl trans-2,3-dimethyl acrylate
 phenyl ethyl-alpha-methyl butenoate

soluble in :
 alcohol
 water, slightly

insoluble in :
 water

(odor and/or flavor) blends with :
 acetaldehyde butyl phenethyl acetal
 acetaldehyde di-(Z)-3-hexen-1-yl acetal
 acetaldehyde ethyl phenethyl acetal
 allyl anthranilate
 bark carbaldehyde
 basil absolute sweet
 benzophenone
laevo-citronellol
 citronellyl acetate
 citronellyl isobutyrate
(E)-citronellyl tiglate
 coriander heptenol
neocyclocitral
 cyclohexyl propanol
gamma-damascone
(E,Z)-2,4-decadien-1-al
 dibutyl sulfide
 dihydrorose oxide
 dimethyl benzyl carbinol
 diphenyl methane
 diphenyl oxide
 ethyl formate
(E)-ethyl geranate
 floral pyran
 galbanum oil terpeneless
 gardenia pentyl acetate
 geranium absolute
 geranium cyclohexane
 geranium dihydropyran
 geranium nitrile
 geranium oil africa
 geranium oil egypt
 geranium pyran
 geranium thiazole
 geranyl formate
 geranyl hexanoate
 geranyl nonanoate
 geranyl tiglate
(E,E)-2,4-heptadien-1-al
delta-heptalactone
1-hepten-3-ol
 heptyl cinnamate
 heptyl octanoate
 herbal heptane
(E)-2-hexen-1-al
2-hexen-1-al
3-hexen-1-al
(E)-2-hexen-1-ol
(Z)-2-hexen-1-ol
2-hexen-1-ol
3-hexen-1-ol
(E)-2-hexen-1-yl acetate
(Z)-3-hexen-1-yl benzoate
(Z)-3-hexen-1-yl lactate
(Z)-3-hexen-1-yl methyl carbonate
(Z)-3-hexen-1-yl phenyl acetate
(Z)-3-hexen-1-yl pyruvate
 hexoxyacetaldehyde dimethyl acetal
 hexyl tiglate
 leaf acetal
 leafy acetal
 leather cyclohexanol
 methyl citronellate
 methyl epi-jasmonate
 methyl heptine carbonate
 methyl jasmonate
2-methyl-2-butenol
(E)-6-methyl-3-hepten-2-one
3-methyl-3-pentanol
 muguet carbinol
 musk acetate
 narcissus acetate
 nerolidyl isobutyrate
(E,Z)-2,6-nonadien-1-yl acetate
 octanal dimethyl acetal
(E)-2-octen-1-al
(Z)-2-octen-1-al
(Z)-5-octen-1-yl propionate
1-octen-3-ol
 octyl butyrate
 peony acetonitrile
 petitgrain combava oil
 phenethyl formate
 phenethyl isopropyl ether
 phenethyl oxyacetaldehyde
 phenethyl pivalate
 phenyl acetaldehyde digeranyl acetal
3-phenyl propionaldehyde
 phenyl propyl phenyl acetate
 plectranthus glandulosus hook f. leaf oil cameroon
 privet dioxane
isopropyl 2-methyl butyrate
isopropyl phenyl propionaldehyde
isopulegyl formate
 rhodinyl propionate
 rose leaf absolute
(Z)-rose oxide
laevo-rose oxide
 rose pyran
 sorbyl acetate
 styralyl acetate
 valencene
 violet decenol
 violet leaf absolute

(odor and/or flavor) used in :
 green
 hyacinth jacinthe
 modifier
 nut
 outdoors natural outdoors
 raspberry
 rose
 strawberry

natural occurrence in :
data pagechampaca concrete @ 0.02%
data pagegeranium leaf oil india @ 0.77%
data pagegeranium oil africa @ 0.76%
data pagegeranium oil bourbon @ 0.43%
data pagegeranium oil china @ 0.6%
data pagegeranium oil egypt @ 0.65%
data pagegeranium oil moroccan @ 1.04%
data pagegeranium oil rwanda @ 1.15%
data pagegeranium petiole oil india @ 1.45%
data pagegeranium stem oil india @ 1.09%
data pagetagete oil egypt @ 0.14%



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