dextro,laevo-isoborneol
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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
jecfa number :1386
fl. number :02.059
molar refractivity :45.85 ± 0.3 cm3
parachor :381.2 ± 4.0 cm3
index of refraction :1.502 ± 0.02
surface tension :36.2 ± 3.0 dyne/cm
density :0.992 ± 0.06 g/cm3
polarizability :18.17 ± 0.5 10-24cm3
XlogP : 2.70
XlogP3 : 2.70
molecular weight : 154.2493200 (IUPAC)
formula :C10 H18 O
pherobase floral:view
NMR Predictor :Predict
 
 
export tariff code :2906.19.5000
fda reg :172.515
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
assay : 92.00 to 100.00 %   
Food Chemicals Codex Listed :No
melting point : 212.00 to 214.00 °C. @ 760.00 mm Hg
boiling point : 212.00 to 214.00 °C. @ 760.00 mm Hg
vapor pressure :0.03500 mm/Hg @ 25.00 °C.
flash point : 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
fl. number :02.059
jecfa number :1386
NIST Chemistry WebBook :124765
pubchem :197298
Flavornet :124-76-5
Cosmetics :
Cosmetic uses : perfuming agents
other :
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
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 resinoidFL/FR
 benzyl salicylateFL/FR
isobornyl acetateFL/FR
 carrot seed oilFL/FR
 cassia bark oilFL/FR
 cedarleaf oilFL/FR
 cedarwood oil atlasFR
 cedarwood oils 
 chamomile oilFL/FR
 cistus oilFL/FR
 clove bud oilFL/FR
 costus valerolactoneFR
 currant bud absolute blackFL/FR
 dimethyl benzyl carbinolFL/FR
 dodecanalFL/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 undecanalFL/FR
 musks 
 myrrh oilFL/FR
 patchouli ethanoneFR
 patchouli oilFL/FR
 peppermint oilFL/FR
 santallFR
 tonka bean absoluteFR
 vanillinFL/FR
 verymossFR
 woody acetateFR
potential uses :
 agate
 balsam
 bayberry
 bouquet
 cardamom
 carrot
 castoreum
 cedar forest
 cedarleaf
 cedarwood
 christmas blends
 cinnamon
 citronella
 coriander
 earth humus
 fir
 fir balsam
 geranium
 ginger
 grass sweet grass
 herbal
 hollyberry
 juniperberry
 lavandin
 lavender
 lavender spike lavender
 mace
 myrrh
 nutmeg
 oakmoss mousse de chene
 olibanum frankincense
 peppermint
 pine
 pine needle
 sage
 spice
 spruce
 woody
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


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