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)
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)
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)
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.
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 resinoidFL/FR
 benzyl salicylateFL/FR
 bergamot oilFL/FR
 bois de rose oilFL/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 oilFL/FR
 cassie absoluteFL/FR
 castoreum absoluteFL/FR
 cedarwood oils 
 cinnamyl acetateFL/FR
 cinnamyl alcoholFL/FR
 citronellolFL/FR
 citronellyl formateFL/FR
 clary sage oilFL/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
alpha-damasconeFL/FR
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
 dimethyl hydroquinoneFL/FR
 dodecanalFL/FR
 dodecanolFL/FR
 elecampane 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 oilFL/FR
 floral pyranolFR
 frankincense oilFL/FR
 galbanum oilFL/FR
 gardenia oxideFR
 geraniolFL/FR
 geranium oilFL/FR
 ginger root oilFL/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
 ionones 
 juniper berry oilFL/FR
 labdanum resinoidFR
 lavender absoluteFL/FR
 leaf acetalFL/FR
 leerallFR
 lilac pentanolFL/FR
 linaloolFL/FR
laevo-linaloolFL/FR
 linalool oxideFL/FR
 linalyl acetateFL/FR
 mace oilFL/FR
 machilus oil 
 marine pyridineFR
 melon nonenoateFL/FR
 methyl acetophenoneFL/FR
 methyl benzoateFL/FR
 methyl cedryl ketoneFL/FR
alpha-methyl cinnamaldehydeFL/FR
 methyl cinnamateFL/FR
 methyl dihydrojasmonateFL/FR
 methyl ionones 
 methyl isoeugenolFL/FR
 methyl octine carbonateFL/FR
 mimosa absoluteFL/FR
 muguet carboxaldehydeFR
 musks 
 myrrh oilFL/FR
beta-naphthyl ethyl etherFL/FR
 nerolFL/FR
 nerolidolFL/FR
 nutmeg oilFL/FR
 oakmoss absoluteFL/FR
 ocean propanalFL/FR
gamma-octalactoneFL/FR
 olibanum oilFL/FR
 opoponax oilFL/FR
 orange oilFL/FR
 orris absoluteFL/FR
 orris pyridineFR
 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 absoluteFL/FR
 rose butanoateFL/FR
 rose carboxylateFR
 spearmint oilFL/FR
 strawberry furanoneFL/FR
 tangerine oilFL/FR
alpha-terpineolFL/FR
 tetrahydrolinaloolFL/FR
 tetrahydromyrcenolFR
 tobacco dodecaneFR
 tolu balsamFL/FR
para-tolyl aldehydeFL/FR
 tonka bean absoluteFR
 tuberose absoluteFL/FR
gamma-undecalactoneFL/FR
 undecanolFL/FR
10-undecen-1-alFL/FR
 vanilla absoluteFL/FR
 vanillyl acetateFL/FR
 verymossFR
 vetiver oilFL/FR
 violet leaf absoluteFL/FR
 violet methyl carbonateFR
 watermelon ketoneFR
 woody acetateFR
 woody amyleneFR
 woody propanolFR
potential uses :
 acacia
 amber
 ambreine
 amyris
 animal
 armoise
 azalea
 balsam
 bayberry
 beeswax cire d'abeille
 blue grass
 bluebell
 botanical
 bouquet
 broom genet genista
 burberry
 cabreuva
 calamus
 carnation dianthus oeillet
 cassia
 cassia blossom
 castoreum
 cedar forest
 cedarleaf
 cloth clean cloths
 cloudberry bakeapple
 clove blossom
 clover trefle le'trefle incarnat
 coconut
 coronilla
 daffodil narcissus
 dahlia
 daisy
 daphne
 fagonia
 fantasy blends
 fern fougere
 fir balsam
 floral
 flouve
 forest
 frangipanni plumeria
 fresh
 ginger white ginger
 grass sweet grass
 habuba
 hawthorn
 hay new mown hay foin coupe
 heather
 herbal
 hibiscus
 hinoki
 hollyberry
 immortelle helichrysum everlasting
 incense
 jasmin
 jonquil narcissus jonquilla
 kewda
 labdanum
 lavender
 leaf autumn leaf
 leather
 lilac lilas syringa
 lotus
 meadow
 moss
 muguet lily of the valley
 musk
 myrrh
 neroli
 new car
 ocean sea
 orange blossom fleur d'oranger
 orchid
 pansy
 patchouli
 peony
 pine
 pinon cone
 poppy
 potpourri
 powder
 rain
 redwood
 rose
 rose moss rose
 rose tea rose
 rose white rose
 sage
 sandalwood
 soapy
 spearmint
 spice
 stock evening scented stock
 sweet pea pois de senteur
 tobacco tabac tabaco
 toffee
 tonka
 tropical
 tuberose tubereuse
 vanilla
 vetiver
 violet
 woodruff asperula
 woody
natural occurrence in :    note
 not found in nature  

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