(E)-sabinene hydrate
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IUPAC name :(1S,4R,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-4-ol
InChI :InChI=1/C10H18O/c1-7(2)10-5-4-9(3,11)8(10)6-10/h7-8,11H,4-6H2,1-3H3/t8-,9+,10-/m0/s1
InChIKey :KXSDPILWMGFJMM-AEJSXWLSBP
SMILES :CC(C)[C@@]12CC[C@@]([C@@H]1C2)(C)O
cas number :17699-16-0
(EINECS) number :241-703-4
molar refractivity :45.69 ± 0.3 cm3
parachor :376.9 ± 6.0 cm3
index of refraction :1.522 ± 0.02
surface tension :40.1 ± 3.0 dyne/cm
density :1.030 ± 0.06 g/cm3
polarizability :18.11 ± 0.5 10-24cm3
XlogP : 2.80
molecular weight : 154.2493200
formula :C10 H18 O
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
organoleptics :
odor strength :medium
odor description :
at 100.00 %.  		woody balsam
properties :
appearence :colorless to pale yellow clear liquid
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
boiling point : 201.00 to 202.00 °C. @ 760.00 mm Hg
flash point : 176.00  °F.  TCC  ( 80.00 °C. )
logP (o/w) : 2.53
safety :
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 
safety in use :
 
recommendation for (E)-sabinene hydrate usage levels up to :
  2.0000 % in the fragrance concentrate.
safety references :
EPI System :view
 
 
 
 (1S,4R,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-4-ol
(EINECS) number :241-703-4
chemidplus :017699160
EPA Substance Registry Services :17699-16-0
references :
 (1S,4R,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-4-ol
NIST Chemistry WebBook :17699160
pubchem :42974529
other :
VCF-Online: VCF Volatile Compounds in Food
synonyms :
(1S,4R,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-4-ol
(1alpha,2alpha,5alpha)-2-methyl-5-(1-methyl ethyl) bicyclo(3.1.0)hexan-2-ol
trans-sabinene hydrate
(E)-4-thujanol
trans-4-thujanol
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) blends with :
6-acetoxydihydrotheaspirane
 agarwood oil
alpha-amyl cinnamyl formate
para-anisyl phenyl acetate
 basil absolute sweet
 bay leaf oil terpeneless
 benzoin absolute siam
 benzoin absolute sumatra
 benzoin resin siam
 benzoin resin sumatra
 benzoin resinoid siam
 benzoin resinoid sumatra
1-benzoyl acetone
 benzyl isoeugenol
 bigarade oxide
alpha-bisabolene
laevo-bornyl acetate
isobutyl angelate
 butyl anthranilate
isobutyl quinoline
 cajuput oil vietnam
alpha-campholenic aldehyde
 cananga oil
 cananga oil china
 cardamom seed oil
 chamomile oil
 cinnamyl acetate
 cinnamyl benzoate
 citronellyl anthranilate
 conifer acetate
 copaiba balsam
 copaiba balsam oil
(-)-cubenol
isocyclogeraniol
 dill weed oil
 dill weed oil reunion
 dimethyl benzyl carbinyl formate
2,4-dimethyl-3-cyclohexene-1-methanol
 dipentene terpene hydrocarbon byproducts
 elemi gum
 elemi resinoid
 ethyl ethyl anthranilate
 ethyl methyl anthranilate
 ethyl salicylate
 fir needle oil canada
 fir needle oil terpeneless
 frankincense absolute
 furfural acetone
 galangal root oleoresin
 galbanum absolute
 galbanum oleoresin
 galbanum resinoid
 guaiacwood oil
alpha-guaiene
 guaiyl butyrate
 gurjun balsam oil
alpha-gurjunene
 hemlock western oil
 heptanol
 herbal carene
 herbal heptane
 hexyl hexanoate
 hop absolute
 hop oil
4-hydroxybenzaldehyde
 juniper berry absolute
 lime oil distilled terpeneless
 linalyl octanoate
 mace oil CO2 extract
 marigold oil mexico
 methyl hydrogenated rosinate
alpha-methylene citronellal
 muhuhu wood oil
 myrcene
 myristicin
 myrrh absolute
 myrrh gum
 myrrh resin
 myrrh resinoid
 neryl formate
 nutmeg absolute
 nutmeg extract CO2 west indian
 opoponax oil
 opoponax oil
 opoponax resinoid
 orangeflower water absolute
 patchouli oil
 peru balsam
 petitgrain cedrat oil
 petitgrain combava oil
 petitgrain heptane
isophytol
 pine needle oil dwarf
 reseda absolute
 rose absolute morocco
 rosemary absolute
 rosemary oil
 rosemary oil morocco
 sandalwood oil
 sandalwood oil west australia
 santalyl butyrate
 spicy acetoacetate
 theaspirane
 thyme absolute
 tolu balsam absolute
 tolu balsam oil
 tolu balsam resinoid
 tonka undecanone
 treemoss absolute
 tricyclodecyl acetate
 valerian root oil
 valerian root oil china
 valerian root oil CO2 extract china
 vetiverol
 woody octene
 wormwood oil
 wormwood oil annus france
 wormwood oil annus vietnam
 wormwood oil cuba
 wormwood oil italy
 wormwood oil poland
natural occurrence in :
data pageajowan seed oil turkey @ 0.19%
bergamot plant wild
data pageblood orange oil (citrus sinensis l. var. sanguinello) italy @ 0.012%
data pageblood orange oil (citrus sinensis l. var. tarocco) italy @ 0.009%
data pageblood orange oil italy @ 0.016%
data pagecarrot seed oil spain @ 0.03-0.62%
data pagecassis bud oil @ trace-0.54%
data pagecrithmum maritimum l. oil turkey @ 0.90%
data pagecubeb oil @ trace%
data pagecurry leaf oil india @ <0.05%
data pagegrapefruit oil c.p. @ trace%
data pagegrapefruit oil california @ 0.06%
data pagegrapefruit oil CO2 extract @ 0.01%
data pagehyptis suaveolens (l.) poit. oil mali @ trace-0.10%
data pagejuniper berry oil CO2 extract @ 0.50%
data pagelaurel leaf oil turkey @ <0.10%
data pagelavender oil france @ 0.11%
data pagelayana oil kenya @ 0.43%
data pagelayana oil wild zimbabwe @ 1.80-4.40%
data pagelayana oil zimbabwe @ 3.5%
data pagelemon verbena oil morocco @ 0.6%
data pagelemon verbena oil turkey @ 0.80%
data pagelime oil expressed florida @ 0.1%
data pagemace oil CO2 extract @ 0.90%
data pagemandarin oil uruguay @ trace%
data pagemarjoram oil spain @ 0.40%
data pagemarjoram oil sweet cyprus @ 1.50-4.70%
data pagemarjoram oil sweet iran @ 3.10%
data pagemarjoram oil sweet turkey @ 0.51-0.70%
data pagemarjoram pot oil turkey @ 0.05-1.41%
data pagenutmeg extract co2 west indian @ 1.00%
data pagenutmeg oil hydrodistilled india @ 0.5%
data pageorange peel oil sweet c.p. blond italy @ 0.010%
data pageorange peel oil sweet c.p. blond italy @ 0.011%
data pageorange peel oil sweet c.p. blond italy @ 0.019%
data pageorange peel oil sweet c.p. blond italy @ 0.022%
data pageorange peel oil sweet c.p. blond italy @ 0.027%
data pagepeppermint oil america @ 1.14%
data pagepeppermint oil mongolia @ trace%
data pagepeppermint oil russia @ 2.29%
data pagepetitgrain combava oil @ 0.14%
data pagepetitgrain mandarin oil @ 2.54%
data pageplectranthus glandulosus hook f. leaf oil cameroon @ trace%
data pageprotium heptaphyllum (aubl.) march resin oil brazil @ 0.30%
data pagerosemary oil france @ 0.09-0.12%
data pagerosemary oil morocco @ 0.04-0.19%
data pagerosemary oil turkey @ 1.44%
data pagesage oil spain @ 0.1-0.6%
data pagesage oil spain @ 0.10%
data pagesavory oil summer @ 0.10-0.42%
data pagesavory oil winter @ 1.70%
data pagesavory oleoresin winter @ 1.70%
data pagespearmint oil america @ 0.95-1.43%
data pagethevetia peruviana (pers.) k. schum. flower oil brazil @ 0.60%
data pagethyme oil portuguese @ 0.2%
data pagethyme oil spain @ 0.22%
data pagethyme oil spain @ 0.36%
data pagetrachyspermum roxburghianum benth. ex. kurz. seed oil india @ 0.40%
data pagewormseed oil spain @ 0.06%
data pagewormwood oil annus france @ 0.00-0.43%
data pagewormwood oil italy @ 0.2%
data pageyarrow leaf oil @ 10.20%
data pageyarrow oil @ 0.20%
data pageyarrow oil greece @ 0.40%



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