sandal hexanol
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IUPAC name :3-(2,3,3-trimethyl-6-bicyclo[2.2.1]heptanyl)cyclohexan-1-ol
InChI :InChI=1/C16H28O/c1-10-14-8-12(16(10,2)3)9-15(14)11-5-4-6-13(17)7-11/h10-15,17H,4-9H2,1-3H3
InChIKey :BWVZAZPLUTUBKD-UHFFFAOYAS
SMILES :CC1C2CC(C1(C)C)CC2C3CCCC(C3)O
cas number :3407-42-9
(EINECS) number :222-294-1
molar refractivity :71.66 ± 0.3 cm3
parachor :584.4 ± 4.0 cm3
index of refraction :1.507 ± 0.02
surface tension :34.7 ± 3.0 dyne/cm
density :0.982 ± 0.06 g/cm3
polarizability :28.41 ± 0.5 10-24cm3
XlogP : 4.70
molecular weight : 236.3929200 (IUPAC) (PT) (112)
formula :C16 H28 O
NMR Predictor :Predict
 
 
IUPAC name :4-(1,7,7-trimethyl-6-bicyclo[2.2.1]heptanyl)cyclohexan-1-ol
InChI :InChI=1/C16H28O/c1-15(2)12-8-9-16(15,3)14(10-12)11-4-6-13(17)7-5-11/h11-14,17H,4-10H2,1-3H3
InChIKey : LFHQKYSBKVWWOS-UHFFFAOYAK
SMILES :CC1(C2CCC1(C(C2)C3CCC(CC3)O)C)C
cas number :66072-32-0
(EINECS) number :266-122-3
molar refractivity :71.56 ± 0.3 cm3
parachor :587.5 ± 4.0 cm3
index of refraction :1.519 ± 0.02
surface tension :38.7 ± 3.0 dyne/cm
density :1.003 ± 0.06 g/cm3
polarizability :28.37 ± 0.5 10-24cm3
XlogP : 4.80
molecular weight : 236.3929200 (IUPAC) (PT) (112)
formula :C16 H28 O
NMR Predictor :Predict
 
 
IUPAC name :4-(2,3,3-trimethyl-6-bicyclo[2.2.1]heptanyl)cyclohexan-1-ol
InChI :InChI=1/C16H28O/c1-10-14-8-12(16(10,2)3)9-15(14)11-4-6-13(17)7-5-11/h10-15,17H,4-9H2,1-3H3
InChIKey :PCFHYANYPQEMPU-UHFFFAOYAP
SMILES :CC1C2CC(C1(C)C)CC2C3CCC(CC3)O
cas number :66068-84-6
(EINECS) number :266-100-3
molar refractivity :71.66 ± 0.3 cm3
parachor :584.4 ± 4.0 cm3
index of refraction :1.507 ± 0.02
surface tension :34.7 ± 3.0 dyne/cm
density :0.982 ± 0.06 g/cm3
polarizability :28.41 ± 0.5 10-24cm3
XlogP : 4.70
molecular weight : 236.3929200 (IUPAC) (PT) (112)
formula :C16 H28 O
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
Suppliers :
Givaudan :Sandela®
Odor:  Woody, Balsamic, Sandalwood
A classical sandalwood note that can be used in all fragrance types.
Global Essence :SANDENOL
John D. Walsh :Sandela
Moellhausen :isobornyl cyclohexanol
nature identical kosher
SAFC Global® :3-[5,5,6-Trimethylbicyclo[2.2.1]hept-2-yl]cyclohexan-1-ol
Vigon :Isobornyl Cyclohexanol
Vigon :Sandela
Odor:  WOODY, BALSAMIC, SANDALWOOD
organoleptics :
odor strength :medium
odor description:
at 100.00 %.  		sandalwood clean sweet woody
Luebke, William tgsc, (1986)
odor sample from :Givaudan Corporation
substantivity :400  Hour(s)
properties :
appearence :colorless to pale yellow clear viscous liquid
assay : 55.00 to  60.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :0.96200 to 0.97400 @ 25.00 °C.
pounds per gallon - calc. : 8.005 to 8.105
refractive index :1.49100 to 1.50100 @ 20.00 °C.
boiling point : 145.00 °C. @ 3.00 mm Hg
acid value : 5.00  max.  KOH/g
vapor pressure :0.01330 mm/Hg @ 20.00 °C.
flash point :> 212.00  °F.  TCC  ( > 100.00 °C. )
logP (o/w) : 5.27
shelf life : 24.00 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) :None - None found.
  S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
Oral Toxicity(LD50) : 
  Oral-Rat    >5000.00  mg/kg

Dermal Toxicity(LD50) : 
  Skin-Rabbit  >5000.00  mg/kg

Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :fragrance agents
 
recommendation for sandal hexanol fragrance usage levels up to :
  10.0000 % in the fragrance concentrate.
recommendation for sandal hexanol flavor usage levels up to :
 not for flavor use.
safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :2
 
 
 
 
3-(2,3,3-trimethyl-6-bicyclo[2.2.1]heptanyl)cyclohexan-1-ol
(EINECS) number :222-294-1
chemidplus :003407429
EPA Substance Registry Services :3407-42-9
 
 
 
4-(1,7,7-trimethyl-6-bicyclo[2.2.1]heptanyl)cyclohexan-1-ol
(EINECS) number :266-122-3
chemidplus :066072320
EPA Substance Registry Services :66072-32-0
 
 
 
4-(2,3,3-trimethyl-6-bicyclo[2.2.1]heptanyl)cyclohexan-1-ol
(EINECS) number :266-100-3
chemidplus :066068846
EPA Substance Registry Services :66068-84-6
references :
 
3-(2,3,3-trimethyl-6-bicyclo[2.2.1]heptanyl)cyclohexan-1-ol
NIST Chemistry WebBook :3407429
pubchem :680507
 
4-(1,7,7-trimethyl-6-bicyclo[2.2.1]heptanyl)cyclohexan-1-ol
pubchem :683897
 
4-(2,3,3-trimethyl-6-bicyclo[2.2.1]heptanyl)cyclohexan-1-ol
pubchem :683896
Cosmetics :
Cosmetic uses : perfuming agents
other :
CosIng :cosmetic data
RIFM :listed
FMA :listed
synonyms :
 sandal hexanol
 sandela
 sandiff
iso3-(5,5,6-trimethyl bicyclo(2.2.1)hept-2-yl) cyclohexan-1-ol + 4-(5,5,6-trimethyl bicyclo(2.2.1)hept-2-yl) cyclohexan-1-ol + 4-((1R,2R,4R)-born-2-yl) cyclohexanol
3-(2,3,3-trimethyl-6-bicyclo[2.2.1]heptanyl)cyclohexan-1-ol
soluble in :
 alcohol
 dipropylene glycol
 water, 4mg/L @ 20C
insoluble in :
 water
potential blenders :    note
 acetoinFL/FR
 agarwood oilFR
 amber carbinolFR
 ambrette seed oilFL/FR
 ambroxanFL/FR
isoamyl benzoateFL/FR
isoamyl salicylateFL/FR
 amyris wood oilFL/FR
 angelica root oilFL/FR
 animal carbolactoneFR
para-anisaldehydeFL/FR
para-anisyl alcoholFL/FR
 beeswax absoluteFL/FR
 benzoin resinoid siamFL/FR
 benzyl salicylateFL/FR
 bergamot oil bergaptene reduced italyFL/FR
 bois de rose oil brazilFL/FR
isobornyl acetateFL/FR
laevo-bornyl acetateFL/FR
 boronia absoluteFL/FR
isobutyl cinnamateFL/FR
isobutyl quinolineFR
 caraway seed oilFL/FR
 carrot seed oilFL/FR
 cassia bark oil chinaFL/FR
 cassie absoluteFL/FR
 castoreum absoluteFL/FR
 cinnamyl acetateFL/FR
 cinnamyl alcoholFL/FR
 citronellolFL/FR
 citronellyl formateFL/FR
 clary sage oil franceFL/FR
 clove bud oilFL/FR
 clover nitrileFR
 copaiba balsam oilFL/FR
 coriander seed oilFL/FR
 costus root oilFL
 costus valerolactoneFR
 coumarinFR
para-cresyl caprylateFL/FR
 currant bud absolute blackFL/FR
 cyclamen aldehydeFL/FR
 cyclohexyl ethyl alcoholFL/FR
(E)-alpha-damasconeFL/FR
(E)-beta-damasconeFL/FR
gamma-decalactoneFL/FR
 decanolFL/FR
9-decen-1-olFL/FR
 decyl acetateFL/FR
 dihydrojasmoneFL/FR
 dimethyl anthranilateFL/FR
 dimethyl benzyl carbinolFL/FR
 dimethyl benzyl carbinyl acetateFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
 dimethyl benzyl carbinyl isobutyrateFR
para-dimethyl hydroquinoneFL/FR
 dodecanal (aldehyde C-12 lauric)FL/FR
 dodecanolFL/FR
 elecampane root absoluteFL
 ethyl cinnamateFL/FR
 ethyl laurateFL/FR
 ethyl maltolFL/FR
 ethyl phenyl acetateFL/FR
 ethyl vanillinFL/FR
 eugenolFL/FR
isoeugenyl acetateFL/FR
 fir balsam absoluteFR
 fir needle oil siberiaFL/FR
 floral pyranolFR
 frankincense oilFL/FR
 frankincense oilFL/FR
 galbanum oilFL/FR
 gardenia oxideFR
 geraniolFL/FR
 geranium oil bourbonFL/FR
 ginger root oil chinaFL/FR
 grapefruit pentanolFR
 green acetateFR
 guaiacwood oilFL/FR
 gurjun balsam oilFR
 hay absoluteFR
 heliotropinFL/FR
 heliotropyl acetateFL/FR
 heliotropyl acetoneFL/FR
 heliotropyl diethyl acetalFR
gamma-heptalactoneFL/FR
gamma-hexalactoneFL/FR
(Z)-3-hexen-1-yl benzoateFL/FR
(Z)-3-hexen-1-yl salicylateFL/FR
 hexyl 2-methyl butyrateFL/FR
alpha-hexyl cinnamaldehydeFL/FR
 hyacinth etherFR
 hydroxycitronellalFL/FR
 indoleFL/FR
 juniper berry oilFL/FR
 labdanum resinoidFR
 lavender absolute bulgariaFL/FR
 leaf acetalFL/FR
 leerallFR
 lilac pentanolFL/FR
 linaloolFL/FR
laevo-linaloolFL/FR
 linalool oxideFL/FR
 linalyl acetateFL/FR
 mace oil east indiaFL/FR
 marine pyridineFR
 melon nonenoateFL/FR
 methyl (E)-cinnamateFL/FR
para-methyl acetophenoneFL/FR
 methyl benzoateFL/FR
 methyl cedryl ketoneFL/FR
alpha-methyl cinnamaldehydeFL/FR
 methyl dihydrojasmonateFL/FR
 methyl isoeugenolFL/FR
 methyl octine carbonateFL/FR
 mimosa absolute franceFL/FR
 muguet carboxaldehydeFR
 myrrh oilFL/FR
beta-naphthyl ethyl etherFL/FR
 nerolFL/FR
 nerolidolFL/FR
 nutmeg oilFL/FR
 oakmoss absoluteFL/FR
 ocean propanalFL/FR
gamma-octalactoneFL/FR
 opoponax oil (balsamodendron kafal)FL/FR
 orange peel oil sweet c.p. brazilFL/FR
 orris pyridine 25% ipmFR
 orris root absoluteFL/FR
 patchouli ethanoneFR
 patchouli oilFL/FR
 peony alcoholFR
 peru balsam oilFL/FR
 phenethyl acetateFL/FR
 phenethyl alcoholFL/FR
 phenethyl isobutyrateFL/FR
 phenethyl phenyl acetateFL/FR
 phenethyl propionateFL/FR
 phenethyl salicylateFL/FR
 phenyl acetaldehyde dimethyl acetalFL/FR
3-phenyl propionaldehydeFL/FR
3-phenyl propyl alcoholFL/FR
 raspberry ketoneFL/FR
 raspberry ketone acetateFL/FR
 raspberry ketone methyl etherFL/FR
 rhodinolFL/FR
 rose absolute bulgariaFL/FR
 rose butanoateFL/FR
 rose carboxylateFR
 spearmint oil americaFL/FR
 strawberry furanoneFL/FR
 tangerine oil americaFL/FR
alpha-terpineolFL/FR
 tetrahydrolinaloolFL/FR
 tetrahydromyrcenolFR
 tobacco dodecaneFR
 tolu balsamFL/FR
para-tolyl aldehydeFL/FR
 tonka bean absoluteFR
 tuberose absolute pommadeFL/FR
gamma-undecalactone (aldehyde C-14)FL/FR
1-undecanolFL/FR
10-undecen-1-al (aldehyde C-11 undecylenic)FL/FR
 vanilla absolute 100%FL/FR
 vanillyl acetateFL/FR
 verymossFR
 vetiver oil haitiFL/FR
 violet leaf absoluteFL/FR
 violet methyl carbonateFR
 watermelon ketoneFR
 woody acetateFR
 woody amyleneFR
 woody propanolFR
potential uses :
 acacia cassie farnesianaFR
 amberFR
 ambreine 
 amyrisFL/FR
 animalFR
 armoiseFR
 azaleaFR
 balsamFR
 bayberryFR
 beeswax cire d'abeilleFL/FR
 blue grass 
 bluebell 
 botanical 
 bouquetFR
 burberry 
 cabreuvaFR
 calamusFR
 carnation dianthus oeilletFR
 cassiaFR
 cassia blossom 
 castoreumFR
 cedar forestFR
 cedarleafFL/FR
 cloth clean cloths 
 cloudberry bakeapple 
 clove blossom 
 clover trefle le'trefle incarnatFR
 coconutFR
 coronillaFR
 daffodil narcissusFR
 dahlia 
 daisyFR
 daphneFR
 fagoniaFR
 fantasy blends 
 fern fougereFR
 fir balsamFR
 floralFR
 flouveFR
 forestFR
 frangipanni plumeriaFR
 freshFR
 genet genista broomFR
 ginger whiteFR
 grass sweetFR
 habubaFR
 hawthornFR
 hay new mown hay foin coupeFR
 heatherFR
 herbalFR
 hibiscusFR
 hinokiFR
 hollyberryFR
 immortelle helichrysum everlastingFL/FR
 incenseFR
 jasminFR
 jonquil narcissus jonquillaFR
 kewda 
 labdanumFL/FR
 lavenderFR
 autumnFR
 leatherFR
 lilac lilas syringaFR
 lotusFR
 meadow countryFR
 muguet lily of the valleyFR
 muskFR
 myrrhFR
 neroliFR
 new car 
 oakmoss mousse de chene mossFR
 ocean sea 
 orange blossomFR
 orchidFR
 pansyFR
 patchouliFR
 peonyFR
 pineFR
 pinon coneFR
 poppy 
 potpourriFR
 powderFR
 rainFR
 redwood 
 roseFR
 rose mossFR
 rose tea roseFR
 rose whiteFR
 sageFL/FR
 sandalwoodFR
 soapyFR
 spearmintFR
 spiceFR
 stock evening scentedFR
 sweet peaFR
 tobaccoFR
 toffeeFR
 tonka beanFR
 tropical 
 tuberoseFR
 vanillaFR
 vetiverFR
 violetFR
 woodruff asperulaFR
 woodyFR
natural occurrence in :    note
 not found in nature  


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