pine hexanol
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IUPAC name :2-tert-butylcyclohexan-1-ol
InChI :InChI=1/C10H20O/c1-10(2,3)8-6-4-5-7-9(8)11/h8-9,11H,4-7H2,1-3H3
InChIKey : DLTWBMHADAJAAZ-UHFFFAOYAB
SMILES :CC(C)(C)C1CCCCC1O
cas number :13491-79-7
(EINECS) number :236-806-6
molar refractivity :47.45 ± 0.3 cm3
parachor :410.1 ± 6.0 cm3
index of refraction :1.471 ± 0.02
surface tension :34.1 ± 3.0 dyne/cm
density :0.920 ± 0.06 g/cm3
polarizability :18.81 ± 0.5 10-24cm3
XlogP : 3.30
molecular weight : 156.2652000 (IUPAC)
formula :C10 H20 O
NMR Predictor :Predict
 
 
IUPAC name :(1R,2R)-2-tert-butylcyclohexan-1-ol
InChI :InChI=1/C10H20O/c1-10(2,3)8-6-4-5-7-9(8)11/h8-9,11H,4-7H2,1-3H3/t8-,9+/m0/s1
InChIKey :DLTWBMHADAJAAZ-DTWKUNHWBI
SMILES :CC(C)(C)[C@H]1CCCC[C@H]1O
cas number :13491-79-7  (RR)
molar refractivity :47.45 ± 0.3 cm3
parachor :410.1 ± 6.0 cm3
index of refraction :1.471 ± 0.02
surface tension :34.1 ± 3.0 dyne/cm
density :0.920 ± 0.06 g/cm3
polarizability :18.81 ± 0.5 10-24cm3
XlogP : 3.30
molecular weight : 156.2652000 (IUPAC)
formula :C10 H20 O
NMR Predictor :Predict
 
 
IUPAC name :(1R,2S)-2-tert-butylcyclohexan-1-ol
InChI :InChI=1/C10H20O/c1-10(2,3)8-6-4-5-7-9(8)11/h8-9,11H,4-7H2,1-3H3/t8-,9-/m1/s1
InChIKey :DLTWBMHADAJAAZ-RKDXNWHRBI
SMILES :CC(C)(C)[C@@H]1CCCC[C@H]1O
cas number :13491-79-7  (RS)
molar refractivity :47.45 ± 0.3 cm3
parachor :410.1 ± 6.0 cm3
index of refraction :1.471 ± 0.02
surface tension :34.1 ± 3.0 dyne/cm
density :0.920 ± 0.06 g/cm3
polarizability :18.81 ± 0.5 10-24cm3
XlogP : 3.30
molecular weight : 156.2652000 (IUPAC)
formula :C10 H20 O
NMR Predictor :Predict
 
 
IUPAC name :(1S,2R)-2-tert-butylcyclohexan-1-ol
InChI :InChI=1/C10H20O/c1-10(2,3)8-6-4-5-7-9(8)11/h8-9,11H,4-7H2,1-3H3/t8-,9-/m0/s1
InChIKey :DLTWBMHADAJAAZ-IUCAKERBBC
SMILES :CC(C)(C)[C@H]1CCCC[C@@H]1O
cas number :13491-79-7  (SR)
molar refractivity :47.45 ± 0.3 cm3
parachor :410.1 ± 6.0 cm3
index of refraction :1.471 ± 0.02
surface tension :34.1 ± 3.0 dyne/cm
density :0.920 ± 0.06 g/cm3
polarizability :18.81 ± 0.5 10-24cm3
XlogP : 3.30
molecular weight : 156.2652000 (IUPAC)
formula :C10 H20 O
NMR Predictor :Predict
 
 
InChI :InChI=1/C10H20O/c1-10(2,3)8-6-4-5-7-9(8)11/h8-9,11H,4-7H2,1-3H3/t8-,9+/m1/s1
InChIKey :DLTWBMHADAJAAZ-BDAKNGLRBH
SMILES :CC(C)(C)[C@@H]1CCCC[C@@H]1O
cas number :13491-79-7  (SS)
molar refractivity :47.45 ± 0.3 cm3
parachor :410.1 ± 6.0 cm3
index of refraction :1.471 ± 0.02
surface tension :34.1 ± 3.0 dyne/cm
density :0.920 ± 0.06 g/cm3
polarizability :18.81 ± 0.5 10-24cm3
XlogP : 3.30
molecular weight : 156.2652000 (IUPAC)
formula :C10 H20 O
NMR Predictor :Predict
 
 
export tariff code :2906.19.0000
fda reg :unspecified
Suppliers :
IFF :Verdol
≥80% (cis isomer)
Odor:  This is an extremely powerful chemical with a minty, animalic, camphoraceous odor in the pine and patchouli families.
Inoue :2-TERT-BUTYL CYCLOHEXANOL
John D. Walsh :Verdol
Moellhausen :OTBCH
97% min. nature identical kosher
Odor:  powerful, minty, camphoraceous, somewhat pine-woody and patchouli-like
Penta :ortho,tert-butyl cyclohexanol
Vigon :Butyl Cyclohexanol ortho
Odor:  MENTHOL
organoleptics :
odor type :herbal
odor strength :medium
odor description :¹
at 100.00 %.  		pine camphor minty phenolic patchouli
odor sample from :International Flavors & Fragrances Inc.
substantivity :16  Hour(s)
properties :
appearence :white crystalline solid
assay : 98.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
melting point : 44.00 to 45.00 °C. @ 760.00 mm Hg
flash point : 172.00  °F.  TCC  ( 77.78 °C. )
logP (o/w) : 3.42
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) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 
safety in use :
 
recommendation for pine hexanol usage levels up to :
  5.0000 % in the fragrance concentrate.
recommendation for pine hexanol 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
 
 
 
 2-tert-butylcyclohexan-1-ol
(EINECS) number :236-806-6
chemidplus :013491797
EPA Substance Registry Services :13491-79-7
 (1R,2R)-2-tert-butylcyclohexan-1-ol
 (1R,2S)-2-tert-butylcyclohexan-1-ol
 (1S,2R)-2-tert-butylcyclohexan-1-ol
references :
 2-tert-butylcyclohexan-1-ol
NIST Chemistry WebBook :781448081
pubchem :168816
 (1R,2R)-2-tert-butylcyclohexan-1-ol
pubchem :43597651
 (1R,2S)-2-tert-butylcyclohexan-1-ol
pubchem :43597652
 (1S,2R)-2-tert-butylcyclohexan-1-ol
pubchem :43597650
pubchem :658568
Cosmetics :
Cosmetic uses : perfuming agents
other :
reference : Luebke, William tgsc, (1991)¹
CosIng :cosmetic data
synonyms :
2-tert-butyl cyclohexanol
ortho-tert-butyl cyclohexanol
2-tert-butylcyclohexan-1-ol
2-(1,1-dimethyl ethyl) cyclohexanol
 verdol
soluble in :
 alcohol
insoluble in :
 water
stability :
 acid cleaner
 alcoholic lotion
 antiperspirant
 bleach
 deo stick
 detergent
 fabric softener
 hard surface cleaner
 shampoo
 soap
(odor and/or flavor) blends with :
1-allyl-2,2,7,7-tetramethyl cycloheptanol
 borneol
laevo-borneol
 bornyl acetate
laevo-bornyl acetate
isobornyl methyl ether
isobornyl propionate
 buchu leaf oil
2-tert-butyl cyclohexanone
para-tert-butyl cyclohexanone
 camphor oil
 carvacrol
 cedarleaf oil terpeneless
 cedarwood oil port orford
alpha-cedrene epoxide
1,4-cineole
 cypress oil
(E+Z)-4,8-dimethyl-3,7-nonadien-2-ol
 fenchyl alcohol
 gurjun balsam
 herbal dioxane
 herbal norbornane
 hinoki root oil
6-hydroxydihydrotheaspirane (mixture of isomers)
 lavandin concrete
 methyl cyclogeranate
 methyl delta-ionone
 myrtenol
 myrtenyl formate
 myrtenyl isobutyrate
 nopyl acetate
 nopyl aldehyde
 ocimene quintoxide
 origanum oil
 origanum oil turkey
 patchouli ethanol
 patchouli hexanol
 patchouli indene
 patchouli oil china
 pepper oleoresin white
 peppermint cyclohexanone
 pinacol
(Z)-2-pinanol
 pine needle oil scotch siberia
(+)-beta-pinene
laevo-beta-pinene
 pinocarveol
 rosemary absolute
 rosemary oil
 rosemary oil morocco
 sassafras oil
 terpinolene
 tricyclodecenyl acetate
 woody dodecane
 woody epoxide
 woody ether
(odor and/or flavor) used in :
 balsam
 camphor
 fir needle
 mint
 patchouli
 pine
 woody
natural occurrence in :
not found in nature



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