bornyl formate
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IUPAC Name - [(6R)-1,7,7-trimethyl-6-bicyclo[2.2.1]heptanyl] formate
InChI - InChI=1/C11H18O2/c1-10(2)8-4-5-11(10,3)9(6-8)13-7-12/h7-9H,4-6H2,1-3H3/t8?,9-,11?/m1/s1
InChIKey - RDWUNORUTVEHJF-INWMGODYBH
SMILES - CC1(C2CCC1([C@@H](C2)OC=O)C)C
CAS Number : 7492-41-3
(EINECS) Number :231-319-5
FEMA Number :2161
COE Number :349
Molar Refractivity :50.94 ± 0.4 cm3 (est)
Parachor :429.2 ± 6.0 cm3 (est)
Index of Refraction :1.482 ± 0.03 (est)
Surface Tension :33.4 ± 5.0 dyne/cm (est)
Density :1.02 ± 0.1 g/cm3 (est)
Polarizability :20.19 ± 0.5 10-24cm3 (est)
XlogP : 3.20 (est)
XlogP3 : 3.30 (est)
Molecular Weight : 182.2594200 (IUPAC) (PT) (112)
Formula :C11 H18 O2
NMR Predictor :Predict
 
 
Category :flavor and fragrance agents

EU / EUROPA / FDA / JECFA Information :
JECFA Food Flavoring :Bornyl formate.
Fl@vouring Number : 09.082
FDA Mainterm : BORNYL 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 :
Inoue :BORNYL FORMATE
Nanjing :bornyl formate
orders in chinese.
Penta :bornyl formate

Organoleptics :
Odor Type :balsamic
Odor Strength :medium
Odor Description:
at 100.00 %.  
green earthy herbal balsam pine

Properties :
Appearence :colorless clear oily liquid
Assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
Specific Gravity :1.00700 to 1.01300 @ 20.00 °C.
Pounds per Gallon - est. : 8.389 to 8.439
Refractive Index :1.46600 to 1.47200 @ 20.00 °C.
Boiling Point : 225.00 to 230.00 °C. @ 760.00 mm Hg
Boiling Point : 106.00 to 108.00 °C. @ 21.00 mm Hg
Acid Value : 1.00  max.  KOH/g
Flash Ppoint : 174.00  °F.  TCC  ( 78.89 °C. )
logP (o/w) : 3.19

Safety :
Oral Toxicity(LD50) : 
  Not determined
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) :1.20 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :0.09 (μg/capita/day)
Structure Class :I
 
Recommendation for bornyl formate fragrance usage levels up to :
  2.0000 % in the fragrance concentrate.
Recommendation for bornyl formate flavor usage levels up to :
  5.0000 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
 
 
 
 
[(6R)-1,7,7-trimethyl-6-bicyclo[2.2.1]heptanyl] formate
(EINECS) Number :231-319-5
Chemidplus :007492413
EPA Substance Registry Services :7492-41-3

References :
 
[(6R)-1,7,7-trimethyl-6-bicyclo[2.2.1]heptanyl] formate
NIST Chemistry WebBook :2662881215
Pubchem :10534709
Flavornet :7492-41-3

Other :
Export Tariff Code :2915.13.0000
VCF-Online: VCF Volatile Compounds in Food
FDA Everything Added to Food in the United States (EAFUS)View
Synonyms :
endo-2-bornanyl formate
 borneol formate
laevo-bornyl formate
 bornyl methanoate
2-camphanyl formate
endo-1,7,7-trimethyl bicyclo(2.2.1)hept-2-yl formate
endo-1,7,7-trimethyl bicyclo(2.2.1)heptan-2-yl formate
[(6R)-1,7,7-trimethyl-6-bicyclo[2.2.1]heptanyl] formate
[(6R)-1,7,7-trimethylnorbornan-2-yl] formate

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(E)-2-hexen-1-yl formate
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Soluble in :
 alcohol
 water, slightly

Insoluble in :
 water

Potential Blenders :    note
 allyl butyrateFL/FR
 amyl formateFL/FR
 birch bud oilFL/FR
isobornyl formateFL/FR
 butyl isobutyrateFL/FR
4-carvomenthenolFL/FR
 cherry pentenoateFL/FR
 cyperus root oil (cyperus scariosus)FR
 cypress oilFR
 dihydro-alpha-iononeFL/FR
 ethyl (E)-2-octenoateFL
 ethyl levulinateFL/FR
 fern absolute 
 galbanum absoluteFL/FR
 galbanum oilFL/FR
 germacrene B 
delta-heptalactoneFL/FR
 herbalFR
 herbal norbornaneFR
(Z)-3-hexen-1-yl salicylateFL/FR
(Z)-3-hexen-1-yl tiglateFL/FR
6-hydroxydihydrotheaspirane (mixture of isomers)FL/FR
 linalool oxideFL/FR
 mesitene lactoneFR
1-nonen-3-olFL/FR
 oakmoss absoluteFL/FR
 octyl acetateFL/FR
 octyl isobutyrateFL/FR
 orris hexanoneFR
2-pentyl furanFL/FR
2-phenyl propyl acetateFL/FR
1-phenyl-2-pentanolFL/FR
 pinacolFL/FR
(Z)-pinaneFR
 pine needle oil scotch siberiaFL/FR
 pineapple heptadienone 10%FR
 pinus nigra oilFR
 pinus sylvestris l. needle oil estoniaFL/FR
 pinus sylvestris l. needle oil yugoslaviaFL/FR
 sage oleoresinFL/FR
 spruce oil redFR
 sweet pea absoluteFR
 turmeric oleoresinFL
 vetiver oil haitiFL/FR
 woody acetateFR

Potential Uses :
 balsamFR
 cypressFR
 fir 
 herbalFR
 pineFR
 valerianFL/FR

Natural Occurrence in :    note
data pagecrithmum maritimum l. oil turkey @ <0.10% S
data pagecroton flavens l. (welensali) leaf oil curacao @ 0.50% S
data pagelavender oil spike spain @ 0.11% S
data pagerosemary oil turkey @ 0.32% S
 valerian root oil S



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