pinocarveol
 
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IUPAC name :7,7-dimethyl-4-methylidenebicyclo[3.1.1]heptan-3-ol
InChI :InChI=1/C10H16O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h7-9,11H,1,4-5H2,2-3H3
InChIKey :LCYXQUJDODZYIJ-UHFFFAOYAK
SMILES :CC1(C2CC1C(=C)C(C2)O)C
(EINECS) number :227-705-8
cas number :5947-36-4
fema number :3587
coe number :10303
jecfa number :1403
fl. number :02.100
molar refractivity :45.27 ± 0.4 cm3
parachor :364.0 ± 6.0 cm3
index of refraction :1.510 ± 0.03
surface tension :33.4 ± 5.0 dyne/cm
density :1.00 ± 0.1 g/cm3
polarizability :17.94 ± 0.5 10-24cm3
xlogp : 2.20
molecular weight : 152.2334400
formula :C10 H16 O
BioActivity Analysis :429527
 
 
export tariff code :unspecified
fda reg :unspecified
 

organoleptics :
odor type :herbal
odor strength :medium
odor description :
at 100.00 %.  
herbal camphor woody pine balsam

properties :
appearence :pale yellow clear viscous liquid
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.97700 to 0.98300 @ 25.00 °C.
pounds per gallon - calc. : 8.130 to 8.180
refractive index :1.44500 to 1.45100 @ 20.00 °C.
boiling point : 210.00 °C. @ 760.00 mm Hg
boiling point : 88.00 °C. @ 10.00 mm Hg
acid value : 1.00  max.  KOH/g
logp : 2.45

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
flash point ( Deg. F. ) : 194.00  °F.  TCC  ( 90.00 °C. )
recommendation for pinocarveol usage levels up to :
  5.0000 % in the fragrance concentrate.
recommendation for pinocarveol usage levels up to :
  25.0000 ppm in the flavor.

safety references :
EPI System :view
 
 
 7,7-dimethyl-4-methylidenebicyclo[3.1.1]heptan-3-ol
(EINECS) number :227-705-8
chemidplus :5947-36-4
EPA Substance Registry Services :5947-36-4
NLM Chemical Carcinogenesis Research Information System :5947-36-4
NLM Developmental and Reproductive Toxicity :5947-36-4
NLM Env. Mutagen Info. Center :5947-36-4
NLM GENetic TOXicology :5947-36-4
dtp/nci :146601

references :
 7,7-dimethyl-4-methylidenebicyclo[3.1.1]heptan-3-ol
jecfa number :1403
fl. number :02.100
pubchem :10528819
NIST Chemistry WebBook :1491652036

other :
synonyms :
6,6-dimethyl-2-methylene bicyclo(3.1.1)heptan-3-ol
6,6-dimethyl-3-hydroxy-2-methylene bicyclo(3.1.1)heptane
3-hydroxy-6,6-dimethyl-2-methylene bicyclo(3.1.1)heptane
2(10)-pinen-3-ol
beta-pinen-3-ol
 pinocarveol

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) blends with :
 bornyl acetate
laevo-bornyl acetate
isobutyl furyl propionate
 camphor oil
 cedarwood oil port orford
 chamomile oil morocco
 copaiba balsam
(E+Z)-4,8-dimethyl-3,7-nonadien-2-ol
 elemi gum
 elemi resinoid
2,10-epoxypinane
 galbanum oleoresin
 galbanum resinoid
 geranic oxide
alpha-guaiene
 gurjun balsam
alpha-gurjunene
 herbal dioxane
 herbal ethanone
4-hydroxybenzaldehyde
 lavandin concrete
 lavender spike absolute
 marjoram oil sweet cuba
 marjoram oil sweet egypt
 myrrh resinoid
 myrtenol
 myrtenyl formate
 myrtenyl isobutyrate
 nopyl acetate
 nopyl aldehyde
 origanum oil
 origanum oil turkey
 patchouli oil
 pepper oleoresin white
laevo-beta-pinene
 rosemary absolute
 rosemary oil
 rosemary oil morocco
(E)-sabinene hydrate
 sandalwood oil
 sandalwood oil west australia
 santalyl butyrate
 terpinolene
 thyme oil
 thyme oil white
 valerian root oil
 valerian root oil china
 valerian root oil CO2 extract china

(odor and/or flavor) used in :
 balsam
 camphor
 chamomile
 grapefruit
 herbal
 mint
 spearmint
 woody

natural occurrence in :
bilberry
data pagecascarilla bark oil @ 0.17%
chamomile roman chamomile
grapefruit oil
hop oil
data pagehyptis spicigera lam. oil mali @ 0.10-0.30%
data pagehyssop oil @ 0.6%
myrtle oil
pepper black pepper
data pagerosemary oil corsica @ 0.90%
data pagesage oil sardinia @ 6.70%
spearmint oil
data pagetansy flower oil canada @ 0.57%
data pagethyme oil red CO2 extract @ 0.02%
data pagewormwood oil italy @ trace%



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