dextro,laevo-isoborneol
Suppliers  Organoleptics  properties  safety  references  cosmetics    FEMA Index    Home Page
 
Right Click Jmol Molecule For More Options. (Safari 1.2 (v125) Compatible). Jmol is a free download found Here.
 
IUPAC Name - (1R,4S,6R)-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-XKSSXDPKBN
SMILES - CC1([C@H]2CC[C@]1([C@@H](C2)O)C)C
CAS Number : 124-76-5
(EINECS) Number :204-712-4
Beilstein Number :4126091
FEMA Number :2158
COE Number :2020
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 : 1386
Fl@vouring Number : 02.059
FDA Mainterm : ISOBORNEOL.
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 :isoBorneol Crystals
Fleurchem :isoborneol
Nanjing :isoborneol
orders in chinese.
Penta :isoborneol
SAFC Global® :Isoborneol
≥95%, Kosher
TCI AMERICA :(+/-)-Isoborneol
>90.0%(GC)

Organoleptics :
Odor Type :balsamic
Odor Strength :medium ,
recommend smelling in a 10.00 % solution or less
Odor Description:
at 10.00 % in dipropylene glycol.  
balsam camphor herbal woody
Luebke, William tgsc, (1985)
Odor sample from :Berje Inc.
Substantivity :297 hour(s) at 10.00 % in dipropylene glycol

Properties :
Appearence :white crystalline solid
Food Chemicals Codex Listed :No
Melting Point : 214.00 °C. @ 760.00 mm Hg
Boiling Point : 414.00 °C. @ 0.00 mm Hg
Vapor Pressure :0.03500 mm/Hg @ 25.00 °C.
Flash Ppoint : 200.00  °F.  TCC  ( 93.33 °C. )
logP (o/w) : 2.71
Shelf Life : 36.00 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) :Xi - Irritant
  R 36/37/38 - Irritating to eyes, respiratory system, and skin.
R 42/43 - May cause sensitization by inhalation and skin contact.
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 - Wear suitable protective clothing.
Oral Toxicity(LD50) : 
  Oral-Rat    5200.00  mg/kg
(Moreno, 1977abp)

intravenous-Mouse    56.00  mg/kg
NIOSH Exchange Chemicals. Vol. NX#03209

Dermal Toxicity(LD50) : 
  Skin-Rabbit  >5000.00  mg/kg
Food and Cosmetics Toxicology. Vol. 17, Pg. 531, 1979.

Inhalation Toxicity(LC50) : 
  Not determined
 

Safety in Use :
Category :flavor and fragrance agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :21.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :0.07 (μg/capita/day)
Structure Class :I
 
maximum skin levels for fine fragrances :
  0.3400 %   and are based on the assumption that the fragrance mixture is used at 20% in a consumer product (IFRA Use Level Survey).  (IFRA, 2006)
Recommendation for dextro,laevo-isoborneol fragrance usage levels up to :
  3.0000 % in the fragrance concentrate.
use level in formulae for use in cosmetics :
  0.5500 %
Dermal Systemic Exposure in Cosmetic Products :
 0.0140 mg/kg/day  (IFRA, 2006)
Recommendation for dextro,laevo-isoborneol flavor usage levels up to :
  12.0000 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...
msds :msds
EPI System :view
NLM Hazardous Substances Data Bank :search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
WISER :UN 1325
 
WGK Germany :2
 
 
 
 
(1R,4S,6R)-1,7,7-trimethylbicyclo[2.2.1]heptan-6-ol
(EINECS) Number :204-712-4
RTECS :NP7300000 for cas# 124-76-5
Chemidplus :000124765
EPA Substance Registry Services :124-76-5

References :
Leffingwell :chirality
 
(1R,4S,6R)-1,7,7-trimethylbicyclo[2.2.1]heptan-6-ol
NIST Chemistry WebBook :124765
Pubchem :197298
Flavornet :124-76-5

Cosmetics :
Cosmetic Uses : perfuming agents

Other :
Export Tariff Code :2906.19.5000
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
 C of A
RIFM :listed
FMA :listed
FDA Everything Added to Food in the United States (EAFUS)View
Synonyms :
exo-2-bornanol
(±)-borneol
dextro,laevo-isobornyl alcohol
exo-2-camphanol
dextro,laevo-isocamphol
exo-2-hydroxy-1,7,7-trimethyl norbornane
(1R,2R,4R)-rel-1,7,7-trimethyl bicyclo(2.2.1)heptan-2-ol
exo-(1R)-1,7,7-trimethyl bicyclo(2.2.1)heptan-2-ol
exo-1,7,7-trimethyl bicyclo(2.2.1)heptan-2-ol
(1R,4S,6R)-1,7,7-trimethylbicyclo[2.2.1]heptan-6-ol

Soluble in :
 dipropylene glycol
 ethyl alcohol, 1gm. in 2ml. 70% alcohol
 water, 1190 mg/L @ 25C (est)

Insoluble in :
 water

Stability :
 non-discoloring in most media

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
 costus valerolactoneFR
 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
 abies sibirica S
data pageanise seed oil star china @ 0.05% S
data pageartemisia campestris spp. glutinosa flower oil italy @ 0.10% S
 chamaeciparis formosensis roots S
data pagecurcuma amada roxb. rhizome oil india @ 4.50% S
data pageeucalyptus dalrympleana maiden leaf oil ethiopia @ 7.40% S
data pageeucalyptus delegatensis r. baker leaf oil ethiopia @ 4.10% S
data pageeucalyptus urophylla s.t. blake leaf oil ethiopia @ 1.20% S
data pagegeranium oil rwanda @ 0.10% S
data pagekachur oil @ 8.90% S
data pagelabdanum leaf oil @ 0.20% S
data pagelime oil distilled mexico @ 0.08% S
data pagelime oil distilled peru @ 0.06% S
data pagemanuka var. rotundifolium oil australia @ 0.90% S
data pagemarjoram oil sweet cyprus @ 0.10-0.20% S
data pagepine needle oil scotch siberia @ 1.8-2.2% S
data pageplectranthus glandulosus hook f. leaf oil cameroon @ 0.50% S
data pagesage oil spain @ 0.2-1.9% S
data pagevalerian root oil @ trace-0.1% S
data pagevalerian root oil china @ 1.31% S
data pageviolet flower absolute @ % S
data pagewormseed oil spain @ 0.22% S
data pageyarrow oil greece @ 2.00% S



Please share your Information / Comments.

Your email Address:



Top of Page          The Good Scents Company Home

Copyright © 1980-2010 The Good Scents Company Disclaimer Privacy Policy
Html Last modified 08/03/2010