isobornyl formate
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IUPAC name :[(6S)-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-,11u/m0/s1
InChIKey :RDWUNORUTVEHJF-YUCVTWSNBY
SMILES :CC1(C2CCC1([C@H](C2)OC=O)C)C
cas number :1200-67-5
(EINECS) number :214-853-3
fema number :2162
coe number :565
jecfa number :1390
fl. number :09.176
molar refractivity :50.94 ± 0.4 cm3
parachor :429.2 ± 6.0 cm3
index of refraction :1.482 ± 0.03
surface tension :33.4 ± 5.0 dyne/cm
density :1.02 ± 0.1 g/cm3
polarizability :20.19 ± 0.5 10-24cm3
XlogP : 3.20
XlogP3 : 3.30
molecular weight : 182.2594200 (IUPAC)
formula :C11 H18 O2
NMR Predictor :Predict
 
 
export tariff code :2915.13.0000
fda reg :172.515
Suppliers :
Nanjing :isobornyl formate
orders in chinese.
Penta :isobornyl formate
Pfaltz & Bauer :isobornyl Formate
organoleptics :
odor type :balsamic
odor strength :medium
odor description:
at 100.00 %.  		camphor musty medical woody
Luebke, William tgsc, (1985)
odor sample from :Nickstadt Moeller, Inc.
odor description:
Cooling, musty, medicinal, camphoreous, minty, with woody earthy nuances
Mosciano, Gerard P&F 16, No. 5, 71, (1991)
taste description:
at 30.00 ppm.  		Woody, cooling, musty, floral, camphoreous and minty
Mosciano, Gerard P&F 16, No. 5, 71, (1991)
substantivity :12  Hour(s)
properties :
appearence :colorless clear liquid
assay : 96.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.01100 to 1.01700 @ 25.00 °C.
pounds per gallon - calc. : 8.413 to 8.462
refractive index :1.46900 to 1.47300 @ 20.00 °C.
boiling point : 110.00 °C. @ 20.00 mm Hg
boiling point : 85.00 to 86.00 °C. @ 7.00 mm Hg
acid value : 1.00  max.  KOH/g
flash point : 173.00  °F.  TCC  ( 78.33 °C. )
logP (o/w) : 3.19
safety :
Human experience : 2 % solution: no irritation or sensitization.
Oral Toxicity(LD50) : 
  Oral-Rat    >5000.00  mg/kg
(Levenstein, 1975p)

Dermal Toxicity(LD50) : 
  Skin-Rabbit  >5000.00  mg/kg

Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavor and fragrance agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :0.61 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :0.40 (μg/capita/day)
Structure Class :I
 
recommendation for isobornyl formate fragrance usage levels up to :
  2.0000 % in the fragrance concentrate.
recommendation for isobornyl formate flavor usage levels up to :
  30.0000 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
 
 
 
 
[(6S)-1,7,7-trimethyl-6-bicyclo[2.2.1]heptanyl] formate
(EINECS) number :214-853-3
chemidplus :001200675
EPA Substance Registry Services :1200-67-5
references :
 
[(6S)-1,7,7-trimethyl-6-bicyclo[2.2.1]heptanyl] formate
fl. number :09.176
jecfa number :1390
NIST Chemistry WebBook :1200675
pubchem :203685
Flavornet :1200-67-5
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 :
isoborneol formate
exo-2-bornyl formate
isobornyl methanoate
exo-2-camphanyl formate
exo-1,7,7-trimethyl bicyclo(2.2.1)hept-2-yl formate
[(6S)-1,7,7-trimethyl-6-bicyclo[2.2.1]heptanyl] formate
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(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
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2-phenoxyethyl formate
3-phenyl propyl formate
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soluble in :
 alcohol
 dipropylene glycol
insoluble in :
 water
potential blenders :    note
1-allyl-2,2,7,7-tetramethyl cycloheptanolFR
 armoise oilFR
 borneolFL/FR
laevo-borneolFL/FR
isobornyl methyl etherFR
isobornyl propionateFL/FR
 buchu leaf oilFL/FR
2-tert-butyl cyclohexanoneFR
dextro-camphorFL/FR
 cardamom seed oilFL/FR
 carvacrolFL/FR
4-carvomenthenolFL/FR
 cedarleaf oil terpenelessFR
1,4-cineoleFL/FR
isocyclocitralFL/FR
 cyperus root oilFR
 cypress oilFR
 dihydro-alpha-iononeFL/FR
 dihydro-beta-iononeFL/FR
(E+Z)-4,8-dimethyl-3,7-nonadien-2-yl acetateFL
alpha-fencholFL/FR
dextro-fenchoneFL/FR
 fern absolute 
 fir needle oilFL/FR
 galbanum oilFL/FR
 germacrene B 
 herbal dioxaneFR
 herbal norbornaneFR
 herbal undecanolFR
 hinoki root oilFR
6-hydroxydihydrotheaspirane (mixture of isomers)FL/FR
 hyssop oilFL/FR
 linalool oxideFL/FR
isomenthoneFL/FR
 methyl cyclogeranateFR
3-methyl cyclohexanoneFL
1-methyl naphthaleneFL
 myrtenolFL/FR
 oakmoss absoluteFL/FR
 ocimene quintoxideFL/FR
 origanum oilFL/FR
 origanum oil turkeyFL/FR
 orris hexanoneFR
 patchouli ethanolFR
 patchouli hexanolFR
 peppermint cyclohexanoneFL/FR
(Z,Z)-photocitral AFL
 pinacolFL/FR
 pine hexanolFR
alpha-pineneFL/FR
 pinocarveolFL/FR
 piperitoneFL/FR
 rosemary absoluteFL/FR
 rosemary oilFL/FR
 rosemary oil moroccoFL/FR
beta-terpineolFL/FR
 thymolFL/FR
 turmeric oleoresinFL
laevo-verbenoneFL/FR
 vetiver oilFL/FR
potential uses :
 berry
 citrus
 cooling
 eucalyptus
 fern fougere
 gorse
 heather
 lavender
 lime
 outdoors fresh outdoors
 pine
 pine tar
 raspberry
 tweed
natural occurrence in :    note
 found in nature  

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