(Z)-2-pinanol
organoleptics  properties  safety  references  cosmetics    Home Page
 
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IUPAC name :2,7,7-trimethylbicyclo[3.1.1]heptan-2-ol
InChI :InChI=1/C10H18O/c1-9(2)7-4-5-10(3,11)8(9)6-7/h7-8,11H,4-6H2,1-3H3
InChIKey :YYWZKGZIIKPPJZ-UHFFFAOYAT
cas number :4948-28-1
(EINECS) number :225-591-4
beilstein number :5476390
molar refractivity :45.85 ± 0.3 cm3
parachor :382.5 ± 4.0 cm3
index of refraction :1.488 ± 0.02
surface tension :33.4 ± 3.0 dyne/cm
density :0.969 ± 0.06 g/cm3
polarizability :18.18 ± 0.5 10-24cm3
XlogP : 2.80
molecular weight : 154.2493200
formula :C10 H18 O
 
 
IUPAC name :(1R,2S,5R)-2,7,7-trimethylbicyclo[3.1.1]heptan-2-ol
InChI :InChI=1/C10H18O/c1-9(2)7-4-5-10(3,11)8(9)6-7/h7-8,11H,4-6H2,1-3H3/t7-,8-,10+/m1/s1
InChIKey :YYWZKGZIIKPPJZ-MRTMQBJTBX
cas number :4948-28-1  (RSR)
molar refractivity :45.85 ± 0.3 cm3
parachor :382.5 ± 4.0 cm3
index of refraction :1.488 ± 0.02
surface tension :33.4 ± 3.0 dyne/cm
density :0.969 ± 0.06 g/cm3
polarizability :18.18 ± 0.5 10-24cm3
XlogP : 2.80
molecular weight : 154.2493200
formula :C10 H18 O
 
 
export tariff code :2906.19.0000
fda reg :unspecified
organoleptics :
odor type :woody
odor strength :medium
odor description :¹
at 100.00 %.  		pine woody fir needle camphor incense
odor sample from :Millennium Chemicals
substantivity :28  Hour(s)
properties :
appearence :white solid
assay : 95.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
melting point : 43.00 to 46.00 °C. @ 760.00 mm Hg
boiling point : 204.00 to 206.00 °C. @ 760.00 mm Hg
vapor pressure :0.07000 mm/Hg @ 25.00 °C.
vapor density :5.3 ( Air = 1 )
flash point : 175.00  °F.  TCC  ( 79.44 °C. )
logP (o/w) : 2.85
safety :
most important hazard(s) :Xn - Harmful.
  R 21/22 - Harmful in contact with skin and if swallowed.
R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 20/21 - When using do not eat, drink or smoke.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 37/39 - Wear suitable gloves and eye/face protection.
Oral Toxicity(LD50) :
  Oral-Rat    2050.00  mg/kg
Food and Chemical Toxicology. Vol. 30, Pg. 107S, 1992.

Dermal Toxicity(LD50) :
  Skin-Rabbit  >5000.00  mg/kg
Food and Chemical Toxicology. Vol. 30, Pg. 107S, 1992.

Inhalation Toxicity(LC50) :
  Not determined
 
safety in use :
 
recommendation for (Z)-2-pinanol usage levels up to :
  3.0000 % in the fragrance concentrate.
recommendation for (Z)-2-pinanol usage levels up to :
 not for flavor use.
safety references :
EPI System :view
NLM Hazardous Substances Data Bank :search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
WISER :UN 1325
 
WGK Germany :2
 
 
 
 2,7,7-trimethylbicyclo[3.1.1]heptan-2-ol
(EINECS) number :225-591-4
RTECS :DT5080000 for 4948-28-1
chemidplus :000473541
EPA Substance Registry Services :4948-28-1
 (1R,2S,5R)-2,7,7-trimethylbicyclo[3.1.1]heptan-2-ol
references :
 2,7,7-trimethylbicyclo[3.1.1]heptan-2-ol
NIST Chemistry WebBook :1417755888
pubchem :153365
 (1R,2S,5R)-2,7,7-trimethylbicyclo[3.1.1]heptan-2-ol
Cosmetics :
Cosmetic uses : perfuming agents
other :
reference : Luebke, William tgsc, (1993)¹
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
synonyms :
 pinan-2-alpha-ol
alpha-pinanol
cis-2-pinanol
(1alpha,2alpha,5alpha)-2,2,6-trimethyl bicyclo(3.1.1)heptan-2-ol
(1RS,2RS,5RS)-2,6,6-trimethyl bicyclo(3.1.1)heptan-2-ol
1alpha,2alpha,5alpha-2,6,6-trimethyl bicyclo(3.1.1)heptane
2,7,7-trimethylbicyclo[3.1.1]heptan-2-ol
soluble in :
 alcohol
 water, 863 mg/L @ 25C
insoluble in :
 water
(odor and/or flavor) blends with :
 amber decane
 amber decatriene
 ambrene acetal
 ambroxide
 amyris acetate
 arabinogalactan
 balsam fir oleoresin
 borneol
dextro-borneol
laevo-borneol
 bornyl acetate
laevo-bornyl acetate
 bornyl isobutyrate
isobornyl isobutyrate
isobornyl isovalerate
isobornyl methyl ether
isobornyl phenyl acetate
isobornyl propionate
 bornyl salicylate
 camphene
(-)-camphene
(+)-camphene
 camphor oil
 caryophyllene alcohol acetate
 cedanol
 cedar cyclododecatriene
 cedarwood oil himalaya
 cedarwood oil port orford
 cedralone
 cedrela wood oil
alpha-cedrene
 cedrenyl acetate
 cedryl acetate
1,4-cineole
 conifer acetate
 cypress absolute
 cypress oil
gamma-damascone
alpha-dihydroterpineol
 dihydroterpinyl acetate
(E+Z)-4,8-dimethyl-3,7-nonadien-2-ol
 dipentene terpene hydrocarbon byproducts
 fenchyl acetate
alpha-fenchyl acetate
 fenchyl alcohol
 fir balsam absolute
 fir balsam oregon
 fir carboxylate
 fir needle oil
 fir needle oil canada
 fir needle oil terpeneless
 gurjun balsam
 hemlock western oil
 herbal undecanone
 hexyl cinnamate
 hinoki leaf oil
6-hydroxydihydrotheaspirane (mixture of isomers)
 hyssop oil
 juniper berry oil
 juniper berry oil terpeneless
laevo-limonene
 longifolene
 myrtenol
 myrtenyl formate
 myrtenyl isobutyrate
 nopol
 nopyl acetate
 nopyl aldehyde
 pepper oleoresin white
(Z)-pinane
 pine hexanol
 pine needle absolute
 pine needle concrete
 pine needle oil dwarf
 pine needle oil scotch siberia
(-)-alpha-pinene
(+)-beta-pinene
alpha-pinene
beta-pinene
laevo-beta-pinene
 pinoacetaldehyde
 pinocarveol
 pinus nigra oil
 powdery ketone
 sabinene
 sage oleoresin
 spruce needle absolute
 spruce oil
 spruce oil red
 spruce oil white from cones
 sugi wood oil
 tea tree oil
 terpineol acetate
 terpinolene
 terpinyl benzoate
 terpinyl isovalerate
 tricyclo(5.2.1.02,6)dec-3-enyl acetate
 tricyclodecenyl acetate
 verbenol
(E)-verbenol
(Z)-verbenol
 woody acetate
 woody amylene
 woody dodecane
 woody ether
 xanthoxylin
(odor and/or flavor) used in :
 camphor
 fir needle
 green
 herbal
 mint
 outdoors fresh outdoors
 pine
 pine needle
 woody
natural occurrence in :
found in nature



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