bornyl acetate
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IUPAC Name - (1,7,7-trimethyl-6-bicyclo[2.2.1]heptanyl) acetate
InChI - InChI=1/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3
InChIKey - KGEKLUUHTZCSIP-UHFFFAOYAS
SMILES - CC(=O)OC1CC2CCC1(C2(C)C)C
CAS Number : 76-49-3
(EINECS) Number :200-964-4
FEMA Number :2159
COE Number :207
Molar Refractivity :55.34 ± 0.4 cm3 (est)
Parachor :465.6 ± 6.0 cm3 (est)
Index of Refraction :1.480 ± 0.03 (est)
Surface Tension :32.6 ± 5.0 dyne/cm (est)
Density :1.00 ± 0.1 g/cm3 (est)
Polarizability :21.94 ± 0.5 10-24cm3 (est)
XlogP : 3.50 (est)
XlogP3 : 3.30 (est)
Molecular Weight : 196.2860000 (IUPAC) (PT) (112)
Formula :C12 H20 O2
Pherobase Floral:view
NMR Predictor :Predict
 
 
Category :flavor and fragrance agents

EU / EUROPA / FDA / JECFA Information :
JECFA Food Flavoring :Bornyl acetate.
Fl@vouring Number : 09.017
FDA Mainterm : BORNYL ACETATE.
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 ACETATE
Moellhausen :bornyl acetate
30-50% min. nature identical kosher
Nanjing :bornyl acetate
orders in chinese.
SAFC Global® :Bornyl acetate
≥97%
Takasago :Bornyl Acetate
≥85% as Isobornyl and Bornyl acetates
Odor:  Sweet herbaceous-piney
Heart of pine note. It's suggested for use in household fragrances, but also in chypres, fougeres, and lavender colognes.

Organoleptics :
Odor Type :balsamic
Odor Strength :medium
Odor Description:
at 100.00 %.  
woody pine herbal cedar spice
Odor Description:
Woody, camphoreous, mentholic, cedar woody, spicy and gin-like
Mosciano, Gerard P&F 19, No. 6, 53, (1994)
Taste Description:
at 10.00 ppm.  
Camphoreous, woody, mentholic, berry and seedy with soapy woody nuances
Mosciano, Gerard P&F 19, No. 6, 53, (1994)

Properties :
Appearence :colorless clear liquid
Assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
Specific Gravity :0.98100 to 0.98500 @ 25.00 °C.
Pounds per Gallon - est. : 8.163 to 8.196
Refractive Index :1.46200 to 1.46600 @ 20.00 °C.
Melting Point : 26.00 to 29.00 °C. @ 760.00 mm Hg
Boiling Point : 228.00 to 231.00 °C. @ 760.00 mm Hg
Congealing Point :25.10 °C.
Acid Value : 1.00  max.  KOH/g
Vapor Pressure :0.22800 mm/Hg @ 25.00 °C.
Flash Ppoint : 192.00  °F.  TCC  ( 88.89 °C. )
logP (o/w) : 3.86

Safety :
Most important hazard(s) :Xi - Irritant
  R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
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) :18.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :3.00 (μg/capita/day)
Structure Class :I
 
Recommendation for bornyl acetate fragrance usage levels up to :
  9.0000 % in the fragrance concentrate.
Recommendation for bornyl acetate 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
Env. Mutagen Info. Center :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :1
 
 
 
 
(1,7,7-trimethyl-6-bicyclo[2.2.1]heptanyl) acetate
BioActivity Analysis :476990
(EINECS) Number :200-964-4
Chemidplus :000076493
EPA Substance Registry Services :76-49-3
dtp/nci :407158

References :
 
(1,7,7-trimethyl-6-bicyclo[2.2.1]heptanyl) acetate
NIST Chemistry WebBook :951278872
Pubchem :149397

Other :
VCF-Online: VCF Volatile Compounds in Food
FMA :listed
FDA Everything Added to Food in the United States (EAFUS)View
Synonyms :
 borneol acetate
 bornyl acetic ether
 bornyl ethanoate
endo-2-camphanol acetate
endo-2-camphanyl acetate
endo-2-camphanyl ethanoate
endo-1,7,7-trimethyl bicyclo(2.2.1)hept-2-yl acetate
(1R,2S,4R)-rel-1,7,7-trimethyl bicyclo(2.2.1)heptan-2-ol acetate
(1,7,7-trimethyl-6-bicyclo[2.2.1]heptanyl) acetate

Soluble in :
 alcohol
 dipropylene glycol
 water, 23.2 mg/L @ 25C (est)

Insoluble in :
 water

Stability :
 bath foam
 cream
 non-discoloring in most media
 soap

Potential Blenders :    note
 allyl butyrateFL/FR
 amber caraneFR
 amber decaneFR
 amber decatrieneFR
 ambrene acetalFR
 ambroxideFL/FR
 amyris acetateFR
 anise indeneFR
 atractylis root oilFR
3-benzyl-4-heptanoneFL/FR
 bois de rose oil brazilFL/FR
 borneolFL/FR
laevo-borneolFL/FR
laevo-bornyl acetateFL/FR
isobornyl methyl etherFL/FR
isobutyl furyl propionateFL/FR
 butyl isobutyrateFL/FR
 campheneFL/FR
 caryophylleneFL/FR
beta-caryophylleneFL/FR
isocaryophylleneCS
alpha-caryophyllene alcoholFL/FR
 caryophyllene alcohol acetateFL/FR
beta-caryophyllene oxideFL/FR
 cedanolFR
 cedar cyclododecatrieneFR
 cedarleaf oil western redFR
 cedarwood oil atlantaFR
 cedarwood oil atlas moroccoFR
 cedarwood oil himalayaFR
 cedarwood oil port orfordFR
 cedarwood oil texasFR
 cedarwood oil virginiaFR
 cedraloneFR
 cedrela wood oilFR
alpha-cedreneFL/FR
 cedrenolFL/FR
 cedrenyl acetateFR
 cedrolFL/FR
 cedryl acetateFL/FR
 cherry pentenoateFL/FR
 cinnamon acroleinFL/FR
 cinnamon leaf oil ceylonFL/FR
 cistus oilFL/FR
alpha-copaene 
 coranolFR
 cubeb oilFL/FR
isocyclocitralFL/FR
para-cymeneFL/FR
 cypress oilFR
 dihydrojasmoneFL/FR
 dihydrolinaloolFL/FR
3,6-dimethyl-3-octanolFL/FR
(E+Z)-4,8-dimethyl-3,7-nonadien-2-olFL/FR
 elemi oilFL/FR
 ethyl (E)-2-octenoateFL
 ethyl levulinateFL/FR
 ethyl linaloolFR
 ethyl linalyl acetalFR
 ethyl linalyl acetateFR
 ethyl linalyl etherFL/FR
 fencholFL/FR
 frankincense absoluteFL/FR
(E)-germacrene DFR
 ginger oleoresin africaFL/FR
 guaiacwood oilFL/FR
 guaiyl acetateFL/FR
 gurjun balsamFR
 hemlock western oil (tsuga heterophylla) canandaFR
 hibawood oilFR
 ho leaf oilFR
 ho wood oilFR
 huon pine wood oilFR
6-hydroxydihydrotheaspirane (mixture of isomers)FL/FR
(Z)-jasmoneFL/FR
 juniper berry oleoresinFL/FR
laevo-limoneneFL/FR
 linaloolFL/FR
dextro-linaloolFL/FR
laevo-linaloolFL/FR
 linalool oxideFL/FR
 linalyl anthranilateFL/FR
 marine formateFR
para-methyl hydratropaldehydeFL/FR
1-methyl pyrroleFL
4-methyl-2,6-dimethoxyphenolFL/FR
 mimosa absolute franceFL/FR
gamma-muurolene 
 myrtenolFL/FR
 myrtenyl formateFL/FR
 myrtenyl isobutyrate 
 nopyl acetateFR
 nopyl aldehydeFR
 octanal diethyl acetalFL/FR
3-octanolFL/FR
2-octanoneFL/FR
 octyl phenyl acetateFL/FR
 opoponax absolute (balsamodendron kafal)FL/FR
 origanum vulgare l. ssp. vulgare oil himalaya 
 parsley seed oilFL/FR
 patchouli indeneFR
 pepper oleoresin whiteFL
 petitgrain bigarade oilFL/FR
(Z)-2-pinanolFR
 pine needle oil dwarfFL/FR
 pine needle oil scotch siberiaFL/FR
 pineapple heptadienone 10%FR
(+)-beta-pineneFL/FR
laevo-beta-pineneFL/FR
 pinocarveolFL/FR
 pinus sylvestris l. needle oil estoniaFL/FR
 pinus sylvestris l. needle oil yugoslaviaFL/FR
 polylimoneneFL/FR
4-isopropyl-2-cyclohexenoneFL/FR
 rhubarb oxiraneFR
 sabineneFL/FR
 salvia atropatana bunge oil iran 
 spicy pentanoneFL/FR
 spikenard oilFL/FR
 spruce oil canadaFL/FR
 sugi wood oilFR
 tansy flower oil canadaFR
 tansy flower oil dutchFR
 tansy leaf oil dutch 
 tansy oil canadaFR
 terpinoleneFL/FR
 tetrahydrolinaloolFL/FR
 theaspiraneFL/FR
 thyme oil wild or creepingFL/FR
 tricyclo(5.2.1.02,6)dec-3-enyl acetateFR
 tricyclodecenyl acetateFR
 vanillin propylene glycol acetalFL/FR
 woody acetateFR
 woody dodecaneFR
 woody etherFR
 woody ketoneFL/FR
 zedoary bark oilFL/FR

Potential Uses :
 castoreumFR
 fir 
 fir balsamFR
 fir needle pine needleFL/FR
 ginFL
 herbalFR
 mangoFR
 orris irisFR
 pineFR
 spiceFR
 woodyFR

Natural Occurrence in :    note
data pagealpinia galanga oil @ 2.50% S
data pageangelica root oil @ 1.78% S
data pageangelica seed oil @ 0.30% S
data pageangelica seed oil CO2 extract @ 1.80% S
data pagearmoise oil morocco @ 0.1% S
data pageartemisia deserti krasch. oil iran @ 0.80% S
data pageartemisia diffusa krasch. ex poljak oil iran @ 2.00% S
data pageartemisia gypsacea krasch. oil iran @ 4.30% S
data pagebasil oil sweet poland @ 0.67% S
data pagebasil oil var. glabratum turkey @ 1.08% S
data pagebergamot oil @ 0.010-0.037% S
data pageblood orange oil (citrus sinensis l. var. sanguinello) italy @ 0.013% S
data pageblood orange oil (citrus sinensis l. var. tarocco) italy @ 0.015% S
data pageblood orange oil italy @ 0.016% S
data pagecalamus leaf oil @ 0.25% S
data pagecalamus root oil @ 0.04% S
data pagecalamus root oil mongolia @ 4.60% S
data pagecassis bud oil @ 0.00-2.00% S
data pagecedarleaf oil canada @ 1.20-2.20% S
data pagechamomile oil morocco @ 2.20% S
data pagechampaca concrete @ 0.03% S
data pagecistus oil @ 1.7% S
data pagecitronella oil ceylon @ 0.42% S
data pagecitronella oil zimbabwe @ 0.54% S
data pageclary sage oil france @ trace% S
data pageclary sage oil greece @ trace% S
data pageclary sage oil spain @ 1.11% S
data pagecostmary oil @ 0.46% S
data pagecroton cajucara benth. leaf oil brazil @ trace% S
data pagecroton flavens l. (welensali) leaf oil curacao @ 0.20% S
data pagecumin seed oil turkey @ 0.2% S
data pagecurry fruit oil india @ 0.40% S
data pagecurry leaf oil india @ 0.70% S
data pagecypress cone oil egypt @ 0.4% S
data pagecypress oil @ trace-0.13% S
data pagedill weed oil reunion @ 0.10% S
data pageerigeron graveolens l. oil iran @ 6.80% S
data pagefeatherfew leaf oil @ 1.90% S
data pagefeverfew flower oil @ 0.7% S
data pagefeverfew leaf oil belgium @ 0.7% S
data pagefir needle oil canada @ 4.89-16.22% S
data pagefir needle oil siberia @ 30.96% S
data pagefrankincense oil somalia @ 1.10% S
data pagegalangal root oil @ 0.50% S
data pageginger root oil china @ 0.23% S
data pagehinoki leaf oil @ 7.15% S
data pagehinoki root oil @ 0.65% S
data pagehinoki wood oil @ 0.40% S
data pageho leaf oil @ 0.18% S
data pagejuniper berry oil @ 0.40% S
data pagejuniper branch oil @ 0.15% S
data pagejuniper needle oil @ 0.40% S
data pagekachur oil @ 0.30% S
data pagekewda oil @ trace-0.46% S
data pagelabdanum leaf oil @ 3.10% S
data pagelabdanum oil @ 2.40% S
data pagelaurel leaf oil turkey @ 0.70% S
data pagelavandin oil grosso @ 0.24% S
data pagelavandin water (lavandula hydrida) @ 0.09% S
data pagelavender oil france @ 0.06% S
data pagelavender oil spike spain @ 0.10% S
data pagelavender spike water @ 0.06% S
data pagelavender water bulgaria @ 0.20% S
data pagelayana oil kenya @ 0.23% S
data pagelayana oil wild zimbabwe @ 0.30-1.50% S
data pagelayana oil zimbabwe @ 0.5% S
data pagelime oil distilled peru @ 0.02% S
data pagelime oil expressed florida @ trace% S
data pagelovage flower oil @ 0.42% S
data pagelovage leaf oil @ 0.38% S
data pagelovage root oil @ 0.26% S
data pagelovage seed oil @ 0.70% S
data pagemace oil east india @ 0.09% S
data pagemarjoram oil sweet cuba @ 0.49% S
data pagemarjoram oil sweet cyprus @ 0.10-0.90% S
data pagemarjoram oil sweet morocco @ 2.17% S
data pagemarsypianthes chamaedrys (vahl) kuntze oil brazil @ 0.30% S
data pagemastic oil @ 0.10% S
data pagemikan peel oil @ trace% S
data pagenutmeg oil india @ 0.11% S
data pageorange peel oil sweet c.p. blond italy @ 0.012% S
data pageorange peel oil sweet c.p. blond italy @ 0.014% S
data pageorange peel oil sweet c.p. blond italy @ 0.016% S
data pageorange peel oil sweet c.p. blond italy @ 0.026% S
data pageorange peel oil sweet c.p. blond italy @ 0.040% S
data pageoriganum oil greece @ trace% S
data pageosmanthus absolute @ 0.16% S
data pageotanthus maritimus (l.) hoffmans oil greece @ 1.30% S
data pageparsley leaf oil @ 0.02% S
data pagepeppermint oil CO2 extract @ 0.20% S
data pagepine needle oil dwarf @ 0.43% S
data pagepine needle oil scotch siberia @ 1.1-3.2% S
data pagepinus laricio poiret cone oil italy @ 1.80% S
data pagepinus sylvestris l. needle oil estonia @ 1.80% S
data pagerosemary oil china @ 0.83% S
data pagerosemary oil corsica @ 8.70% S
data pagerosemary oil egypt @ 7.59% S
data pagerosemary oil france @ 1.19-14.32% S
data pagerosemary oil morocco @ 0.12-0.86% S
data pagerosemary oil spain @ 1.4% S
data pagerosemary oil turkey @ 1.64% S
data pagesage oil albania @ 5.00% S
data pagesage oil dalmatian @ 0.10% S
data pagesage oil england @ 1.30% S
data pagesage oil germany @ 2.41% S
data pagesage oil hydrodistillation france @ 2.00% S
data pagesage oil lithuania @ 1.34% S
data pagesage oil reunion @ 0.40% S
data pagesage oil sardinia @ 1.50% S
data pagesage oil spain @ 0.8-4.9% S
data pagesage oil spain @ 1.1% S
data pagesage oil spain @ 1.40% S
data pagesnake root oil canada @ 1.50% S
data pagetagete flower oil rwanda @ trace% S
data pagetagete oil rwanda @ trace% S
data pagetansy flower oil dutch @ 1.00% S
data pagetansy leaf oil dutch @ 0.90% S
data pagetaxodium distichum (l.) richard branch oil italy @ 5.60% S
data pagetaxodium distichum (l.) richard cone oil italy @ 1.00% S
data pagetaxodium distichum (l.) richard leaf oil italy @ 1.50% S
data pagethyme oil portuguese @ trace% S
data pagethyme oil red CO2 extract @ 0.37% S
data pagethyme oil red spain @ 0.04-0.07% S
data pagethyme oil wild or creeping finland @ 3.50% S
data pagevalerian root oil @ 2.3-33.5% S
data pagevalerian root oil china @ 46.22% S
data pagevalerian root oil CO2 extract china @ 36.07% S
data pagewormwood oil cuba @ 23.02% S
data pagewormwood oil italy @ trace% S
data pageyarrow leaf oil @ 4.00% S
data pageyarrow oil @ 0.60% S
data pageyarrow oil hungary @ 0.80% S



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