pine hexanol
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
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
(EINECS) number :236-806-6
cas number :13491-79-7
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
formula :C10 H20 O
 
 
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
formula :C10 H20 O
 
 
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
formula :C10 H20 O
 
 
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
formula :C10 H20 O
 
 
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
formula :C10 H20 O
 
 
export tariff code :290619
fda reg :unspecified
 
Suppliers :
International Flavors & Fragrances :Verdol
≥80% (cis isomer)
organoleptics :
odor type :herbal
odor strength :medium
odor description :
at 100.00 %.  		pine camphor minty patchouli
substantivity :16  Hour(s)
properties :
appearence :white crystalline solid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
melting point : 44.00 to 45.00 °C. @ 760.00 mm Hg
logp : 3.42
safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
flash point ( Deg. F. ) : 172.00  °F.  TCC  ( 77.78 °C. )
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
 
 
 2-tert-butylcyclohexan-1-ol
(EINECS) number :236-806-6
chemidplus :013491797
EPA Substance Registry Services :13491-79-7
NLM Chemical Carcinogenesis Research Information System :13491-79-7
NLM Developmental and Reproductive Toxicity :13491-79-7
NLM Env. Mutagen Info. Center :13491-79-7
NLM GENetic TOXicology :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
pubchem :168816
NIST Chemistry WebBook :781448081
 (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
other :
synonyms :
2-tert-butyl cyclohexanol
ortho-tert-butyl cyclohexanol
2-(1,1-dimethyl ethyl) cyclohexanol
 pine hexanol
 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) used in :
 balsam
 camphor
 fir needle
 mint
 patchouli
 pine
 woody
natural occurrence in :
not found in nature



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