benzyl formate
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IUPAC Name - benzyl formate
InChI - InChI=1/C8H8O2/c9-7-10-6-8-4-2-1-3-5-8/h1-5,7H,6H2
InChIKey - UYWQUFXKFGHYNT-UHFFFAOYAZ
SMILES - C1=CC=C(C=C1)COC=O
CAS Number : 104-57-4
(EINECS) Number :203-214-4
Beilstein Number :2041319
FEMA Number :2145
COE Number :344
Molar Refractivity :37.73 ± 0.3 cm3 (est)
Parachor :312.4 ± 4.0 cm3 (est)
Index of Refraction :1.511 ± 0.02 (est)
Surface Tension :37.8 ± 3.0 dyne/cm (est)
Density :1.081 ± 0.06 g/cm3 (est)
Polarizability :14.95 ± 0.5 10-24cm3 (est)
XlogP : 1.70 (est)
XlogP3-AA : 1.60 (est)
Molecular Weight : 136.1479200 (IUPAC) (PT) (112)
Formula :C8 H8 O2
Pherobase Floral:view
NMR Predictor :Predict
 
 
Category :flavor and fragrance agents

EU / EUROPA / FDA / JECFA Information :
JECFA Food Flavoring :Benzyl formate.
Fl@vouring Number : 09.077
FDA Mainterm : BENZYL FORMATE.
FDA Regulation. :FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION
Subpart F--Flavoring Agents and Related Substances
Sec. 172.515 Synthetic flavoring substances and adjuvants.

Suppliers :
Advanced Biotech :benzyl formate
98% min. natural
Odor:  Floral, fruity
Berje :Benzyl Formate
Fleurchem :benzyl formate
natural
Fontarome :BENZYL FORMATE
Odor:  Intense, pleasant, fruity
Inoue :BENZYL FORMATE
Penta :benzyl formate
SAFC Global® :Benzyl formate
≥95%, FCC, Kosher
Odor:  apricot; meaty; floral; fruity; pineapple; sweet.
Symrise :Benzyl formate
Odor:  strong, floral, jasmine-like, black tea, fruity, blackberry
Flavor:  sweet, fruity, raspberry, blueberry.
Ungerer :Benzyl Formate
Vigon :Benzyl Formate
FCC
Odor:  Strong, floral, jasmine-like, black tea, fruity, blackberry

Organoleptics :
Odor Type :floral
Odor Strength :medium
Odor Description:
at 100.00 %.  
floral fruity spicy almond cranberry black tea
Luebke, William tgsc, (1988)
Odor sample from :Harrmann & Reimer Corporation
Odor Description:
Chemical with a cherry fruity almond nuance
Mosciano, Gerard P&F 17, No. 3, 57, (1992)
Taste Description:
at 10.00 ppm.  
Fresh cherry, with a berry strawberry fruity nuance
Mosciano, Gerard P&F 17, No. 3, 57, (1992)
Substantivity :8  Hour(s)

Properties :
Appearence :colorless to pale yellow clear liquid
Food Chemicals Codex Listed :Yes
Specific Gravity :1.08400 to 1.09200 @ 25.00 °C.
Pounds per Gallon - est. : 9.020 to 9.087
Refractive Index :1.50900 to 1.51400 @ 20.00 °C.
Flash Ppoint : 180.00  °F.  TCC  ( 82.22 °C. )
logP (o/w) : 1.53
Shelf Life : 24.00 month(s) or longer if stored properly.
Storage :store in cool, dry place in tightly sealed containers, protected from heat and light.

Safety :
Most important hazard(s) :Xn - Harmful.
  R 21/22 - Harmful in contact with skin and if swallowed.
S 02 - Keep out of the reach of children.
S 24 - Avoid contact with skin.
S 36/39 - Wear suitable clothing and eye/face protection.
Human Experience : 10 % solution: no irritation or sensitization.
Oral Toxicity(LD50) : 
  Oral-Rat    1400.00  mg/kg
Food and Cosmetics Toxicology. Vol. 11, Pg. 1019, 1973.

Dermal Toxicity(LD50) : 
  Skin-Rabbit  2000.00  mg/kg
Food and Cosmetics Toxicology. Vol. 11, Pg. 1019, 1973.

Inhalation Toxicity(LC50) : 
  Not determined
 

Safety in Use :
Category :flavor and fragrance agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :35.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :17000.00 (μg/capita/day)
Structure Class :I
 
Recommendation for benzyl formate fragrance usage levels up to :
  1.0000 % in the fragrance concentrate.
Recommendation for benzyl formate flavor usage levels up to :
  15.0000 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 :1
 
 
 
 
benzyl formate
BioActivity Analysis :73763
(EINECS) Number :203-214-4
RTECS :LQ5400000 for cas# 104-57-4
Chemidplus :000104574
EPA Substance Registry Services :104-57-4
dtp/nci :8049

References :
 
benzyl formate
NIST Chemistry WebBook :3838374489
Pubchem :150799

Cosmetics :
Cosmetic Uses : perfuming agents

Other :
Export Tariff Code :2915.13.0000
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 :
 benzyl alcohol formate
 benzyl methanoate
 formic acid benzyl ester
 formic acid phenyl methyl ester
 phenyl methyl formate
 phenylmethyl formate

Similar Products:    note
 allyl formate
 amyl formate
isoamyl formate
para-anisyl formate
 bornyl formate
isobornyl formate
 butyl formate
isobutyl formate
sec-butyl formate
 carvyl formate
 cedryl formate
 cinnamyl 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

Insoluble in :
 water

Potential Blenders :    note
6-acetoxydihydrotheaspiraneFL/FR
alpha-amyl cinnamyl acetateFL/FR
alpha-amyl cinnamyl alcoholFL/FR
para-anisyl propionateFL/FR
 basil oleoresin sweetFL/FR
 benzaldehyde glycrol acetalFL/FR
 benzyl acetoneFL/FR
 benzyl cinnamateFL/FR
 benzyl phenyl acetateFL/FR
 benzyl propionateFL/FR
(E)-alpha-bergamotene 
 blackberry thiophenoneFL/FR
 bois de rose oil brazilFL/FR
 champaca absoluteFR
 champaca flower oil (michelia alba dc.)FR
 cherry oxyacetateFL/FR
 cherry propanolFL/FR
 clary sage absoluteFL/FR
 clary sage oil franceFL/FR
 coranolFR
(-)-cubenol 
 cyperus root oil (cyperus rotundus)FR
 dihydrolinaloolFL/FR
 dimethyl benzyl carbinyl propionateFR
2,4-dimethyl thiazoleFL
3,6-dimethyl-3-octanolFL/FR
 ethyl 2-phenyl-3-furoateFL/FR
 ethyl benzoyl acetateFL
 ethyl linaloolFR
 ethyl linalyl acetalFR
 ethyl linalyl acetateFR
 ethyl linalyl etherFL/FR
 genet absoluteFL/FR
 geranyl crotonateFR
 geranyl formateFL/FR
 guaiacyl phenyl acetateFL/FR
(-)-guaiolFR
 guaiyl acetateFL/FR
 heptyl butyrateFL/FR
 ho leaf oilFR
 ho wood oilFR
 honeysuckle absoluteFR
 jasmin absolute concrete egyptFL/FR
 jasmin acetateFL/FR
 jasmin pyranolFR
para-jasmoneFR
 linaloolFL/FR
dextro-linaloolFL/FR
laevo-linaloolFL/FR
 linalool oxideFL/FR
 linalyl anthranilateFL/FR
para-methyl acetophenoneFL/FR
 methyl dihydrojasmonateFL/FR
 methyl furfuracrylateFL
alpha-isomethyl ionone (90% min.)FL/FR
2-methyl-3-pentenoic acidFL/FR
 octyl phenyl acetateFL/FR
 penten-1-yl cyclopentanoneFR
 phenethyl isobutyrateFL/FR
1-phenyl propyl butyrateFL/FR
ketoisophoroneFL/FR
 styralyl butyrateFL/FR
 tea acetateFR
 tetrahydrolinaloolFL/FR
 tetrahydromyrcenolFR
 tolualdehydes (mixed o/m/p)FL/FR
meta-tolyl aldehydeFL/FR
para-tolyl aldehydeFL/FR
 tropical trithianeFL/FR
 verbena absolute franceFL
 wallflower absoluteFR

Potential Uses :
 aldehydicFR
 appleFR
 apricotFR
 balsamFR
 cherryFR
 cinnamonFR
 cranberryFR
 grapeFR
 heliotropeFR
 jasminFR
 jonesia 
 orangeFR
 pineappleFR
 plumFR
 pruneFR
 quinceFR
 raspberryFR
 roseFR
 strawberryFR
 tuberoseFR
 woodruff asperulaFR

Natural Occurrence in :    note
 aesculus hippocastanum S
data pagechampaca concrete @ 0.10% S
 cranberry S
 mahonia japonica S
data pageosmanthus absolute @ 0.02% S
 rosa rugosa oil S
 victoria amazonica S



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