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
jecfa number :841
fl. number :09.077
molar refractivity :37.73 ± 0.3 cm3
parachor :312.4 ± 4.0 cm3
index of refraction :1.511 ± 0.02
surface tension :37.8 ± 3.0 dyne/cm
density :1.081 ± 0.06 g/cm3
polarizability :14.95 ± 0.5 10-24cm3
XlogP : 1.70
XlogP3-AA : 1.60
molecular weight : 136.1479200 (IUPAC)
formula :C8 H8 O2
BioActivity Analysis :73763
NMR Predictor :Predict
 
 
export tariff code :2915.13.0000
fda reg :172.515

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
Sigma-Aldrich-SAFC :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:  POWERFUL, FRUITY-SPICY

organoleptics :
odor type :floral
odor strength :medium
odor description :¹
at 100.00 %.  
floral fruity spicy almond cranberry black tea
odor sample from :Harrmann & Reimer Corporation
substantivity :8  Hour(s)

properties :
appearence :colorless to pale yellow clear liquid
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :Yes
specific gravity :1.08200 to 1.09200 @ 25.00 °C.
pounds per gallon - calc. : 9.003 to 9.087
specific gravity :1.08500 to 1.09300 @ 20.00 °C.
pounds per gallon - calc. : 9.039 to 9.105
refractive index :1.50800 to 1.51800 @ 20.00 °C.
boiling point : 202.00 to 203.00 °C. @ 760.00 mm Hg
acid value : 1.00  max.  KOH/g
flash point : 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 :
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 usage levels up to :
  1.0000 % in the fragrance concentrate.
recommendation for benzyl formate 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
(EINECS) number :203-214-4
RTECS :LQ5400000 for 104-57-4
chemidplus :000104574
EPA Substance Registry Services :104-57-4
dtp/nci :8049

references :
 benzyl formate
fl. number :09.077
jecfa number :841
NIST Chemistry WebBook :3838374489
pubchem :150799

Cosmetics :
Cosmetic uses : perfuming agents

other :
reference : Luebke, William tgsc, (1988)¹
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
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

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) blends with :
6-acetoxydihydrotheaspirane
alpha-amyl cinnamyl acetate
alpha-amyl cinnamyl alcohol
para-anisyl propionate
 basil oleoresin sweet
 benzaldehyde glycrol acetal
 benzyl acetone
 benzyl cinnamate
 benzyl phenyl acetate
 benzyl propionate
(E)-alpha-bergamotene
 blackberry thiophenone
 bois de rose oil
 champaca absolute
 champaca flower oil
 cherry oxyacetate
 cherry propanol
 clary sage absolute
 clary sage oil
 coranol
(-)-cubenol
 cyperus root oil
 dihydrolinalool
 dimethyl benzyl carbinyl propionate
2,4-dimethyl thiazole
3,6-dimethyl-3-octanol
 ethyl 2-phenyl-3-furoate
 ethyl benzoyl acetate
 ethyl linalool
 ethyl linalyl acetal
 ethyl linalyl acetate
 ethyl linalyl ether
 genet absolute
 geranyl crotonate
 geranyl formate
 guaiacyl phenyl acetate
(-)-guaiol
 guaiyl acetate
 heptyl butyrate
 ho leaf oil
 ho wood oil
 honeysuckle absolute
 jasmin absolute
 jasmin acetate
 jasmin pyranol
para-jasmone
 linalool
dextro-linalool
laevo-linalool
 linalool oxide
 linalyl anthranilate
 methyl acetophenone
 methyl dihydrojasmonate
 methyl furfuracrylate
alpha-isomethyl ionone (90% min.)
2-methyl-3-pentenoic acid
 octyl phenyl acetate
 penten-1-yl cyclopentanone
 phenethyl isobutyrate
1-phenyl propyl butyrate
ketoisophorone
 styralyl butyrate
 tea acetate
 tetrahydrolinalool
 tetrahydromyrcenol
 tolualdehydes (mixed o/m/p)
meta-tolyl aldehyde
para-tolyl aldehyde
 tropical trithiane
 verbena absolute france
 wallflower absolute

(odor and/or flavor) used in :
 aldehydic
 apple
 apricot
 balsam
 cherry
 cinnamon
 cranberry
 grape
 heliotrope
 jasmin
 jonesia
 orange
 pineapple
 plum
 prune
 quince
 raspberry
 rose
 strawberry
 tuberose tubereuse
 woodruff asperula

natural occurrence in :
data pagechampaca concrete @ 0.10%
cranberry
data pageosmanthus absolute @ 0.02%



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