cinnamyl formate
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IUPAC name :3-phenylprop-2-enyl formate
InChI :InChI=1/C10H10O2/c11-9-12-8-4-7-10-5-2-1-3-6-10/h1-7,9H,8H2
InChIKey :LBHJXKYRYCUGPD-UHFFFAOYAP
SMILES :C1=CC=C(C=C1)C=CCOC=O
cas number :104-65-4
(EINECS) number :203-223-3
beilstein number :1860334
fema number :2299
coe number :352
jecfa number :649
fl. number :09.085
molar refractivity :48.70 ± 0.3 cm3
parachor :378.5 ± 4.0 cm3
index of refraction :1.560 ± 0.02
surface tension :39.9 ± 3.0 dyne/cm
density :1.076 ± 0.06 g/cm3
polarizability :19.30 ± 0.5 10-24cm3
XlogP : 2.30
XlogP3 : 2.50
molecular weight : 162.1852000 (IUPAC)
formula :C10 H10 O2
NMR Predictor :Predict
 
 
IUPAC name :[(E)-3-phenylprop-2-enyl] formate
InChI :InChI=1/C10H10O2/c11-9-12-8-4-7-10-5-2-1-3-6-10/h1-7,9H,8H2/b7-4+
InChIKey :LBHJXKYRYCUGPD-QPJJXVBHBV
SMILES :C1=CC=C(C=C1)/C=C/COC=O
cas number :104-65-4  (E)
(EINECS) number :203-223-3
fema number :2299
molar refractivity :48.70 ± 0.3 cm3
parachor :378.5 ± 4.0 cm3
index of refraction :1.560 ± 0.02
surface tension :39.9 ± 3.0 dyne/cm
density :1.076 ± 0.06 g/cm3
polarizability :19.30 ± 0.5 10-24cm3
XlogP : 2.30
XlogP3 : 2.50
molecular weight : 162.1852000 (IUPAC)
formula :C10 H10 O2
NMR Predictor :Predict
 
 
export tariff code :2915.13.0000
fda reg :172.515
Suppliers :
Cargill :CINNAMYL FORMATE
natural, Kosher
Odor:  Green, Herbaceous, Balsamic
Inoue :CINNAMYL FORMATE
Penta :cinnamyl formate
SAFC Global® :Cinnamyl formate
≥92%, FCC, Kosher
Odor:  balsam; green; herbaceous.
Vigon :Cinnamyl Formate
FCC
Odor:  GREEN, HERBACEOUS, BALSAMIC
organoleptics :
odor type :balsamic
odor strength :medium
odor description:
at 100.00 %.  		balsam fruity floral green herbal cinnamyl narcissus
Luebke, William tgsc, (1985)
odor sample from :Nickstadt Moeller, Inc.
substantivity :244  Hour(s)
properties :
appearence :colorless to pale yellow clear liquid
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :Yes
specific gravity :1.07700 to 1.08200 @ 25.00 °C.
pounds per gallon - calc. : 8.962 to 9.003
refractive index :1.55000 to 1.55600 @ 20.00 °C.
boiling point : 250.00 to 254.00 °C. @ 760.00 mm Hg
acid value : 2.00  max.  KOH/g
vapor pressure :0.02000 mm/Hg @ 20.00 °C.
flash point :> 230.00  °F.  TCC  ( > 110.00 °C. )
logP (o/w) : 2.15
safety :
Human experience : 4 % solution: no irritation or sensitization.
Oral Toxicity(LD50) : 
  Oral-Rat    2900.00  mg/kg
Food and Cosmetics Toxicology. Vol. 14, Pg. 719, 1976.

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) :1.80 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :17.00 (μg/capita/day)
Structure Class :I
 
maximum skin levels for fine fragrances :
  0.0100 %   and are based on the assumption that the fragrance mixture is used at 20% in a consumer product (IFRA Use Level Survey).  (IFRA, 2001)
recommendation for cinnamyl formate fragrance usage levels up to :
  1.0000 % in the fragrance concentrate.
use level in formulae for use in cosmetics :
  0.0400 %
dermal systemic exposure in cosmetic products :
 0.0010 mg/kg/day  (IFRA, 2001)
recommendation for cinnamyl formate flavor usage levels up to :
  10.0000 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
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :2
 
 
 
 
3-phenylprop-2-enyl formate
(EINECS) number :203-223-3
RTECS :UD5530000 for cas# 104-65-4
chemidplus :104-65-4
EPA Substance Registry Services :104-65-4
 
[(E)-3-phenylprop-2-enyl] formate
references :
 
3-phenylprop-2-enyl formate
fl. number :09.085
jecfa number :649
pubchem :29226525
 
[(E)-3-phenylprop-2-enyl] formate
NIST Chemistry WebBook :299261386
pubchem :150803
Cosmetics :
Cosmetic uses : perfuming agents
other :
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 :
 cinnamyl alcohol formate
 cinnamyl methanoate
 formic acid cinnamyl ester
3-phenyl allyl formate
gamma-phenyl allyl formate
3-phenyl-2-propen-1-yl formate
3-phenylprop-2-enyl formate
Similar Products:    note
 allyl formate
 amyl formate
isoamyl formate
para-anisyl formate
 benzyl formate
 bornyl formate
isobornyl formate
 butyl formate
isobutyl formate
sec-butyl formate
 carvyl formate
 cedryl formate
 citronellyl formate
para-cresyl formate
 cyclododecyl formate
 cyclohexyl formate
2-decalinyl formate
 decyl formate
 dimethyl benzyl carbinyl formate
 ethyl formate
 eugenyl formate
isoeugenyl formate
 furfuryl formate
S-furfuryl thioformate
 geranyl formate
 heptyl formate
(E)-2-hexen-1-yl formate
(E)-3-hexen-1-yl formate
3-hexen-1-yl formate
(Z)-3-hexen-1-yl formate
 hexyl formate
 linalyl formate
 menthadienyl formate
 menthyl formate
laevo-menthyl formate
2-methyl butyl formate
 methyl formate
 myrtenyl formate
 neryl formate
 nonisyl formate
 nonyl formate
 nopyl formate
 octyl formate
3-octyl formate
 phenethyl formate
2-phenoxyethyl formate
3-phenyl propyl formate
 prenyl formate
 propyl formate
isopropyl formate
isopulegyl formate
 rhodinyl formate
 styralyl formate
 sulfuryl formate
 terpinyl formate
soluble in :
 alcohol
 fixed oils
 water, 725.1 mg/L @ 25C
insoluble in :
 water
potential blenders :    note
 acetal 318FR
6-acetoxydihydrotheaspiraneFL/FR
1-acetyl cyclohexyl acetateFL
isoamyl 3-(2-furan) propionateFL/FR
 amyl angelateFL
isoamyl angelateFL/FR
 amyl benzoateFL/FR
alpha-amyl cinnamaldehydeFL/FR
alpha-amyl cinnamyl acetateFL/FR
alpha-amyl cinnamyl formateFL/FR
para-anisyl formateFL/FR
 basil absolute sweetFL/FR
 benzaldehyde / methyl anthranilate schiff's baseFR
 benzyl acetateFL/FR
 benzyl acetoacetateFL/FR
 benzyl acetoneFL/FR
 benzyl cinnamateFL/FR
 benzyl formateFL/FR
 berry hexanoateFR
isobutyl angelateFL/FR
isobutyl anthranilateFL/FR
 butyl benzoateFL/FR
alpha-butyl cinnamaldehydeFL/FR
isobutyl cinnamateFL/FR
isobutyl furyl propionateFL/FR
isobutyl quinolineFR
2-butyl thiopheneFL
 butyl undecylenateFL/FR
alpha-campholenic aldehydeFL/FR
 chamomile isobutyrateFR
 chamomile oilFL/FR
 chamomile propionateFR
 chamomile valerateFR
 cinnamyl acetateFL/FR
 cinnamyl alcoholFL/FR
 cinnamyl anthranilateFR
 cinnamyl benzoateFL/FR
 cinnamyl butyrateFL/FR
 cinnamyl cinnamateFL/FR
 cinnamyl hexanoateFL/FR
 cinnamyl isobutyrateFL/FR
 cinnamyl isovalerateFL/FR
 cinnamyl phenyl acetateFL/FR
 cinnamyl propionateFL/FR
 cinnamyl salicylate 
 cinnamyl tiglateFL/FR
 cinnamyl valerateFL/FR
 citronellyl acetateFL/FR
 citronellyl butyrateFL/FR
 citronellyl hexanoateFL/FR
 citronellyl isobutyrateFL/FR
 citronellyl propionateFL/FR
(E)-citronellyl tiglateFL/FR
 clary propyl acetateFR
(-)-cubenol 
 cumin carbinolFR
isocyclogeraniolFR
(E)-beta-damasconeFL/FR
(Z)-beta-damasconeFL/FR
beta-damasconeFL/FR
2-decalinyl acetateFR
3-decanoneFL/FR
2-decen-1-alFL/FR
2,4-difurfuryl furanFL
 dihydrojasmoneFL/FR
 dimethyl benzyl carbinolFL/FR
 dimethyl benzyl carbinyl acetateFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
 dimethyl benzyl carbinyl formateFL/FR
6,8-dimethyl-2-nonanolFR
2,4-dimethyl-3-cyclohexene-1-methanolFR
S-(2,5-dimethyl-3-furyl) ethane thioateFL
(E+Z)-4,8-dimethyl-3,7-nonadien-2-oneFL
 ethyl 2-furoateFL
 ethyl cinnamateFL/FR
 ethyl levulinateFL/FR
 ethyl methyl-para-tolyl glycidateFL/FR
4-ethyl octanoic acidFL/FR
 floral butanalFR
 geraniolFL/FR
 geranium oilFL/FR
 geranyl acetoneFL/FR
 geranyl isobutyrateFL/FR
 grapefruit pentanolFR
 heptanolFL/FR
2-heptanolFL/FR
 heptyl isobutyrateFL/FR
 herbal heptaneFR
(Z)-3-hexen-1-yl cinnamateFR
(Z)-3-hexen-1-yl isovalerateFL/FR
(Z)-3-hexen-1-yl salicylateFL/FR
 hexoxyacetaldehyde dimethyl acetalFR
alpha-hexyl cinnamaldehydeFL/FR
 hexyl cinnamate 
 hexyl hexanoateFL/FR
2-hexyl-4-acetoxytetrahydrofuranFL
 hop absoluteFL/FR
 hop oilFL/FR
 hydrangea 
 ivy dioxolaneFR
 jasmin cyclopentanolFR
 jonquil absoluteFR
 linalyl cinnamateFL/FR
 linalyl octanoateFL/FR
 menthadienyl formateFR
3-mercaptohexyl acetateFL
 methoxymelonalFR
 methyl (Z)-3-hexenoateFL/FR
 methyl 4-phenyl butyrateFL
 methyl alpha-iononeFL/FR
 methyl benzyl acetate (mixed ortho-,meta-,para-)FL/FR
 methyl cyclogeranateFR
 methyl decanoateFL/FR
 methyl furfuracrylateFL
para-methyl hydratropaldehydeFL/FR
alpha-isomethyl ionone (90% min.)FL/FR
 methyl ionyl acetateFL/FR
 methyl isobutyrateFL/FR
 methyl octine carbonateFL/FR
(E)-7-methyl-3-octen-2-oneFL
 mimosa absoluteFL/FR
 muguet undecadienalFR
 neroli oilFL/FR
 nerolidolFL/FR
 neryl formateFL/FR
3-nonanon-1-yl acetateFL/FR
 octanal dimethyl acetalFL/FR
 octyl benzoateFR
 octyl cinnamateFR
 orange leaf absoluteFL/FR
 orris root concreteFL/FR
 papaya isobutyrateFL/FR
 peru balsam oilFL/FR
 petitgrain lemon oilFL/FR
 phenethyl isobutyrateFL/FR
 phenethyl isovalerateFL/FR
2-phenoxyethyl formateFR
2-phenyl propionaldehyde ethylene glycol acetalFR
1-phenyl propyl butyrateFL/FR
2-phenyl propyl isobutyrateFL/FR
3-phenyl propyl isobutyrateFL/FR
 phenyl salicylateFR
4-phenyl-3-buten-2-olFL/FR
2-phenyl-4-pentenalFL
isophytolFL/FR
 prenyl benzoateFL/FR
 propyl 2-furan acrylateFL/FR
isopropyl benzoateFL/FR
 reseda absoluteFR
 rhubarb pyranFR
 rose butanoateFL/FR
 rose undeceneFR
 santalyl butyrateFL/FR
 spicy acetoacetateFL/FR
 terpinyl butyrateFL/FR
 terpinyl valerateFL/FR
 tetrahydrofurfuryl cinnamateFL/FR
 tetrahydroionyl acetateFR
 theaspiraneFL/FR
 thyme absoluteFL/FR
4-(para-tolyl)-2-butanoneFL/FR
 tricyclodecenyl acetateFR
 tricyclodecyl acetateFR
 tropical iononeFL/FR
potential uses :
 apple
 balsam
 bergamot
 cassia
 cinnamon
 date
 lavender
 modifier
 oriental
 pear
 rose
 sandalwood
 vetiver
natural occurrence in :    note
data pagechampaca concrete @ 0.01% S

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