borneol
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IUPAC Name - (1R,4S,6S)-1,7,7-trimethylbicyclo[2.2.1]heptan-6-ol
InChI - InChI=1/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3/t7-,8-,10-/m0/s1
InChIKey - DTGKSKDOIYIVQL-NRPADANIBG
SMILES - CC1([C@H]2CC[C@]1([C@H](C2)O)C)C
CAS Number : 507-70-0
(EINECS) Number :208-080-0
FEMA Number :2157
COE Number :64
Molar Refractivity :45.85 ± 0.3 cm3 (est)
Parachor :381.2 ± 4.0 cm3 (est)
Index of Refraction :1.502 ± 0.02 (est)
Surface Tension :36.2 ± 3.0 dyne/cm (est)
Density :0.992 ± 0.06 g/cm3 (est)
Polarizability :18.17 ± 0.5 10-24cm3 (est)
XlogP : 2.70 (est)
XlogP3 : 2.70 (est)
Molecular Weight : 154.2493200 (IUPAC) (PT) (112)
Formula :C10 H18 O
Pherobase Floral:view
NMR Predictor :Predict
 
 
Category :flavor and fragrance agents
EU / EUROPA / FDA / JECFA Information :
JECFA Food Flavoring :Borneol.
Fl@vouring Number : 02.016
FDA Mainterm : BORNEOL.
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 :
Berje :Borneol Crystals
Global Essence :BORNEOL FLAKES
John D. Walsh :Borneol Crystals
Moellhausen :borneol
97% min. nature identical kosher
Nippon Terpene :n-Borneol
Pfaltz & Bauer :Borneol
70%
Shanghai Green Leaf :Borneol Flakes
Sigma-Aldrich-Sigma :Borneol
~75%
TCI AMERICA :Borneol
>70.0%(GC) (contains ca. 20% Isoborneol)
Organoleptics :
Odor Type :balsamic
Odor Strength :medium ,
recommend smelling in a 10.00 % solution or less
Odor Description:
at 10.00 % in dipropylene glycol.  		pine woody camphor
Properties :
Appearence :white crystalline powder
Assay : 85.00 to 100.00 %   
Food Chemicals Codex Listed :No
Melting Point : 206.00 to 208.00 °C. @ 760.00 mm Hg
Boiling Point : 212.00 to 213.00 °C. @ 760.00 mm Hg
Boiling Point : 135.00 to 136.00 °C. @ 50.00 mm Hg
Vapor Pressure :0.03500 mm/Hg @ 25.00 °C.
Flash Ppoint : 150.00  °F.  TCC  ( 65.56 °C. )
logP (o/w) : 2.69
Safety :
Most important hazard(s) :Xn - Harmful.
  R 22 - Harmful if swallowed.
S 02 - Keep out of the reach of children.
S 20/21 - When using do not eat, drink or smoke.
S 22 - Do not breath dust.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
Oral Toxicity(LD50) : 
  Oral-Rat    500.00  mg/kg
French Demande Patent Document. Vol. #2448856

Oral-Mouse    1059.00  mg/kg
Shika Gakuho. Journal of Dentistry. Vol. 75, Pg. 934, 1975.

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) :130.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :23.00 (μg/capita/day)
Structure Class :I
 
Recommendation for borneol fragrance usage levels up to :
  3.0000 % in the fragrance concentrate.
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
NLM Hazardous Substances Data Bank :search
Chemical Carcinogenesis Research Information System :Search
Env. Mutagen Info. Center :Search
NLM Developmental and Reproductive Toxicity :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
WISER :UN 1312
 
WGK Germany :3
 
 
 
 
(1R,4S,6S)-1,7,7-trimethylbicyclo[2.2.1]heptan-6-ol
(EINECS) Number :208-080-0
RTECS :ED7000000 for cas# 507-70-0
Chemidplus :000507700
EPA/NOAA CAMEO :hazardous materials
EPA Substance Registry Services :507-70-0
References :
Leffingwell :chirality
 
(1R,4S,6S)-1,7,7-trimethylbicyclo[2.2.1]heptan-6-ol
NIST Chemistry WebBook :507700
Pubchem :153781
Flavornet :507-70-0
Cosmetics :
Cosmetic Uses : masking agents
perfuming agents
Other :
Export Tariff Code :2906.19
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 :
dextro,laevo-borneol
dextro,laevo-1,7,7-trimethyl bicyclo(2.2.1)heptan-2-ol
(1R,4S,6S)-1,7,7-trimethylbicyclo[2.2.1]heptan-6-ol
Soluble in :
 alcohol
 water, 738 mg/L @ 25C (est)
Insoluble in :
 water
Potential Blenders :    note
 acetophenoneFL/FR
 ambrette seed oilFL/FR
alpha-amyl cinnamaldehydeFL/FR
 amyris wood oilFL/FR
 angelica root oilFL/FR
para-anisyl alcoholFL/FR
 armoise oilFR
 bay leaf oilFL/FR
 benzoin resinoid siamFL/FR
 benzyl salicylateFL/FR
isobornyl acetateFL/FR
 carrot seed oilFL/FR
 cassia bark oil chinaFL/FR
 cedarleaf oilFL/FR
 cedarwood oil atlas moroccoFR
 chamomile flower oil romanFL/FR
 cistus oilFL/FR
 clove bud oilFL/FR
 currant bud absolute blackFL/FR
 dimethyl benzyl carbinolFL/FR
 dodecanal (aldehyde C-12 lauric)FL/FR
 ethyl laurateFL/FR
 fir balsam absoluteFR
 frankincense oilFL/FR
 gurjun balsam oilFR
alpha-hexyl cinnamaldehydeFL/FR
 juniper berry oilFL/FR
 labdanum resinoidFR
 methyl cedryl ketoneFL/FR
 methyl phenyl acetateFL/FR
2-methyl undecanal (aldehyde C-12 mna)FL/FR
 myrrh oilFL/FR
 patchouli ethanoneFR
 patchouli oilFL/FR
 peppermint oil americaFL/FR
 santallFR
 tonka bean absoluteFR
 vanillinFL/FR
 verymossFR
 woody acetateFR
Potential Uses :
 agate 
 balsamFR
 bayberryFR
 bouquetFR
 cardamomFL/FR
 carrotFL
 castoreumFR
 cedar forestFR
 cedarleafFL/FR
 cedarwoodFR
 christmas blendsFR
 cinnamonFR
 citronellaFL/FR
 corianderFL/FR
 earth humusFR
 fir 
 fir balsamFR
 fir needle pine needleFL/FR
 frankincense olibanumFR
 geraniumFR
 gingerFR
 grass sweetFR
 herbalFR
 hollyberryFR
 juniper berryFR
 lavandinFL/FR
 lavenderFR
 lavender spikeFL/FR
 maceFR
 myrrhFR
 nutmegFR
 oakmoss mousse de chene mossFR
 peppermintFR
 pineFR
 sageFL/FR
 spiceFR
 spruceFL/FR
 woodyFR
Natural Occurrence in :    note
data pageachillea tenuifolia lam. flower oil iran @ 0.50% S
data pagealpinia galanga oil @ trace% S
data pageangelica root oil @ 0.19% S
data pageanise seed oil star china @ 0.04% S
data pagearmoise oil morocco @ 0.7% S
data pageartemisia deserti krasch. oil iran @ 0.50% S
data pageartemisia diffusa krasch. ex poljak oil iran @ 0.50% S
data pageartemisia gypsacea krasch. oil iran @ 2.60% S
data pageayou wood oil @ 2.80% S
data pagebasil absolute sweet @ 0.20% S
data pagecalamus leaf oil @ 0.11% S
data pagecalamus rhizome oil @ 0.11% S
data pagecalamus root oil @ 0.04% S
data pagecarrot seed oil spain @ trace-0.35% S
data pagecascarilla bark oil @ 0.94% S
data pagechamomile oil @ 0.20%  
data pagechamomile oil morocco @ 1.00% S
data pagechampaca concrete @ 0.10% S
data pagecinnamon fruit oil india @ 0.3-0.4% S
data pagecistus oil @ 2.0% S
data pagecitronella oil ceylon @ 5.23% S
data pagecitronella oil china @ 0.06% S
data pagecitronella oil java @ 0.05% S
data pagecitronella oil zimbabwe @ 0.90% S
data pageclary sage oil spain @ 0.12% S
data pagecoriander seed oil @ 0.30% S
data pagecoriander seed oil CO2 extract @ 0.07% S
data pagecoriander seed oil cuba @ 1.55% S
data pagecroton cajucara benth. leaf oil brazil @ trace% S
data pagecroton flavens l. (welensali) leaf oil curacao @ 1.20% S
data pagecurcuma amada roxb. rhizome oil india @ 1.30% S
data pagecypress cone oil egypt @ 0.3% S
data pagecypress oil @ trace% S
data pagedavana oil @ 0.5% S
data pageerigeron graveolens l. oil iran @ 60.70% S
data pageeucalyptus camaldulensis dehn. leaf oil jerusalem @ 3.80% S
data pageeucalyptus globulus bicostata oil @ 0.09% S
data pageeucalyptus globulus oil @ 0.06% S
data pageeucalyptus globulus oil burundia @ 0.20% S
data pageeucalyptus globulus oil pakistan @ 0.20% S
data pageeucalyptus globulus pseudoglobulus oil @ 0.07% S
data pagefeatherfew leaf oil @ 0.60% S
data pagefeverfew leaf oil belgium @ 1.0% S
data pagefir needle oil canada @ 0.31-2.07% S
data pagefir needle oil siberia @ 1.66% S
data pagegeranium rose-scented oil (pelargonium spp.) cuba @ 0.10% S
data pageginger root oil brazil @ 0.70% S
data pageginger root oil china @ 0.48% S
data pageginger root oil CO2 extract @ 0.60% S
data pageginger root oil CO2 extract australia @ 0.60% S
data pageglycosmis pentaphylla (cor.) seed oil india @ 0.40% S
data pageguava fruit headspace reunion @ 0.50% S
data pagehinoki leaf oil @ 1.23% S
data pagehinoki root oil @ 0.54% S
data pagehinoki wood oil @ 0.33% S
data pageho leaf oil @ 0.16% S
data pagehypericum dogonbadanicum assadi oil iran @ 0.70% S
data pagekachur oil @ 4.90% S
data pagekewda oil @ 0.17-0.20% S
data pagelabdanum leaf oil @ 0.80% S
data pagelabdanum oil @ 1.45% S
data pagelaurel leaf oil turkey @ 0.30% S
data pagelavandin absolute grosso @ 1.50% S
data pagelavandin oil abrialis @ 3.65% S
data pagelavandin oil china @ 0.89% S
data pagelavandin oil grosso @ 2.89% S
data pagelavandin water (lavandula hydrida) @ 1.35% S
data pagelavender oil @ 1.85% S
data pagelavender oil CO2 extract france @ 2.30% S
data pagelavender oil spike france @ 1.69% S
data pagelavender oil spike spain @ 1.13% S
data pagelavender spike water @ 2.26% S
data pagelavender water bulgaria @ 2.20% S
data pagelayana oil kenya @ 5.09% S
data pagelayana oil wild zimbabwe @ 0.60-3.40% S
data pagelayana oil zimbabwe @ 2.8% S
data pagelemon oil california @ 0.01% S
data pagelemongrass oil @ 0.05% S
data pagelime oil CO2 extract mexico @ 3.25% S
data pagelime oil distilled peru @ 0.82% S
data pagelime oil expressed florida @ trace% S
data pagelippia aff. gracillis h.b.k. leaf oil brazil @ 0.50% S
data pagemace oil east india @ 0.16% S
data pagemangrove bark red oil cuba @ trace% S
data pagemarjoram oil spain @ trace% S
data pagemarjoram oil sweet turkey @ 0.00-0.64% S
data pagemastic fruit oil @ 1.44% S
data pagemastic leaf oil @ 0.10% S
data pagemastic oil @ 0.12% S
data pagemyrtle lemon scented leaf oil australia @ 0.10% S
data pagenutmeg extract co2 west indian @ trace% S
data pagenutmeg flower oil @ 0.14% S
data pagenutmeg leaf oil @ 0.00-0.09% S
data pagenutmeg oil india @ 0.25% S
data pageoregano oil mexico @ 0.09% S
data pageoriganum oil greece @ trace% S
data pagepeppermint oil mongolia @ 0.05% S
data pagepetitgrain bergamot oil @ 0.02% S
data pagephoebe oil brazil @ 0.01% S
data pagepine needle oil scotch siberia @ 0.4-0.7% S
data pagepinus sylvestris l. needle oil estonia @ 0.30% S
data pagepinus sylvestris l. needle oil yugoslavia @ 0.10% S
data pagerosemary oil china @ 1.71% S
data pagerosemary oil CO2 extract @ 15.56% S
data pagerosemary oil corsica @ 3.20% S
data pagerosemary oil egypt @ 1.69% S
data pagerosemary oil france @ 3.24-6.53% S
data pagerosemary oil morocco @ 3.00-4.51% S
data pagerosemary oil spain @ 9.0% S
data pagerosemary oil turkey @ 17.50% S
data pagesage oil albania @ 8.70% S
data pagesage oil cuba @ 3.81% S
data pagesage oil dalmatian @ 1.20% S
data pagesage oil england @ 4.10% S
data pagesage oil germany @ 3.12% S
data pagesage oil hydrodistillation france @ 1.90% S
data pagesage oil lithuania @ 2.04% S
data pagesage oil sardinia @ 3.00% S
data pagesage oil spain @ 0.8% S
data pagesage oil spain @ 1.5-6.4% S
data pagesage oil spain @ 2.10% S
data pagesantolina oil @ 4.78% S
data pagesavory oil winter @ 1.60% S
data pagesavory oleoresin winter @ 1.60% S
data pagesnake root oil canada @ 0.10% S
data pagetansy flower oil canada @ 12.49% S
data pagetansy oil marocco @ 2.10% S
data pagethyme oil portuguese @ 1.0% S
data pagethyme oil red CO2 extract @ 0.02% S
data pagethyme oil red spain @ 0.44-0.45% S
data pagethyme oil spain @ 1.63% S
data pagethyme oil spain @ 4.06% S
data pagethyme oil wild or creeping finland @ 0.20% S
data pagethyme oil wild or creeping pakistan @ 3.13% S
data pagethymus richardii pers. subsp. nitidus (guss.) jalas oil italy @ trace% S
data pageturmeric oil china @ 0.02% S
data pageturmeric root oil CO2 extract @ 1.08% S
data pagevalerian root oil @ 0.1-0.6% S
data pagevalerian root oil CO2 extract china @ 0.47% S
data pagewormwood oil annus france @ 0.00-0.16% S
data pagewormwood oil italy @ trace% S
data pageyarrow oil @ 2.50% S
data pageyarrow oil hungary @ 0.30% S


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