nopol
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Right Click Jmol Molecule For More Options. (Safari 1.2 (v125) Compatible). Jmol is a free download found Here.
 
IUPAC name :2-(7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)ethanol
InChI :InChI=1/C11H18O/c1-11(2)9-4-3-8(5-6-12)10(11)7-9/h3,9-10,12H,4-7H2,1-2H3
InChIKey :ROKSAUSPJGWCSM-UHFFFAOYAE
SMILES :CC1(C2CC=C(C1C2)CCO)C
cas number :128-50-7
(EINECS) number :204-890-3
fema number :3938
jecfa number :986
fl. number :02.141
molar refractivity :50.11 ± 0.3 cm3
parachor :404.6 ± 6.0 cm3
index of refraction :1.501 ± 0.02
surface tension :32.1 ± 3.0 dyne/cm
density :0.978 ± 0.06 g/cm3
polarizability :19.86 ± 0.5 10-24cm3
XlogP : 2.90
molecular weight : 166.2600200 (IUPAC)
formula :C11 H18 O
BioActivity Analysis :68122
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified

Suppliers :
Berje :Nopol
Moellhausen :nopol
98% min. nature identical kosher
Penta :nopol
Takasago :Nopol
≥98% as Nopol
Odor:  Very mild, woody-camphoraceous
Used in fragrances and compositions. Gives a clean note for soaps and detergents.
Ungerer :Nopol
Vigon :Nopol

organoleptics :
odor type :balsamic
odor strength :medium
odor description:
at 100.00 %.  
sweet balsamic citrus pine herbal
Luebke, William tgsc, (1987)
odor sample from :Ungerer & Company, Inc.
substantivity :32  Hour(s)

properties :
appearence :colorless clear liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.95820 to 0.96870 @ 25.00 °C.
pounds per gallon - calc. : 7.973 to 8.061
refractive index :1.45500 to 1.49300 @ 20.00 °C.
boiling point : 110.50 °C. @ 10.00 mm Hg
flash point : 210.00  °F.  TCC  ( 98.89 °C. )
logP (o/w) : 3.09

safety :
most important hazard(s) :Xi - Irritant
  R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
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 36 - Wear suitable protective clothing.
Oral Toxicity(LD50) : 
  Oral-Rat    890.00  mg/kg
(Moreno, 1977u)

Dermal Toxicity(LD50) : 
  Skin-Rabbit  >5000.00  mg/kg
Food and Cosmetics Toxicology. Vol. 17, Pg. 879, 1979.

Inhalation Toxicity(LC50) : 
  Not determined
 

safety in use :
Category :flavor and fragrance agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :ND (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :0.01 (μg/capita/day)
 
recommendation for nopol fragrance usage levels up to :
  8.0000 % in the fragrance concentrate.

safety references :
European Food Safety Athority(efsa) :Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :2
 
 
 
 
2-(7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)ethanol
(EINECS) number :204-890-3
chemidplus :000128507
EPA Substance Registry Services :128-50-7
dtp/nci :1284

references :
 
2-(7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)ethanol
fl. number :02.141
jecfa number :986
NIST Chemistry WebBook :120405257
pubchem :173485

Cosmetics :
Cosmetic uses : perfuming agents

other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
2-(6,6-dimethyl bicyclo(3.1.1)hept-2-en-2-yl) ethan-1-ol
6,6-dimethyl-2-hydroxyethyl-6,6-dimethyl bicyclo(3,1,1)hept-2-ene bicyclo(3.1.1)hept-2-ene-2-ethanol
6,6-dimethyl-2-norpinene-2-ethanol
2-(7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)ethanol
10-hydroxymethylene-2-pinene
homomyrtenol

soluble in :
 alcohol
 paraffin oil, cloudy

insoluble in :
 water

potential blenders :    note
 ambroxideFL/FR
 arabinogalactanCS
 bornyl acetateFL/FR
laevo-bornyl acetateFL/FR
 bornyl isobutyrateFL/FR
isobornyl isovalerateFL/FR
 bornyl salicylateFR
 camphor oilFL/FR
 cedarwood oil port orfordFR
1,4-cineoleFL/FR
 cypress absoluteFR
gamma-damasconeFR
(E+Z)-4,8-dimethyl-3,7-nonadien-2-olFL/FR
 fenchyl alcoholFL/FR
 gurjun balsamFR
 herbal undecanoneFR
 hinoki leaf oilFR
6-hydroxydihydrotheaspirane (mixture of isomers)FL/FR
 hyssop oilFL/FR
laevo-limoneneFL/FR
 myrtenolFL/FR
 myrtenyl formateFL/FR
 myrtenyl isobutyrate 
 nopyl acetateFR
 nopyl aldehydeFR
(Z)-pinaneFR
 pine needle oil scotch siberiaFL/FR
(-)-alpha-pineneFL/FR
alpha-pineneFL/FR
beta-pineneFL/FR
laevo-beta-pineneFL/FR
 pinoacetaldehydeFR
 pinocarveolFL/FR
 pinus nigra oilFR
 pinus sylvestris l. needle oil estoniaFL/FR
 pinus sylvestris l. needle oil yugoslaviaFL/FR
 plectranthus glandulosus hook f. leaf oil cameroon 
 sabineneFL/FR
 sage oleoresinFL
 spruce oil redFR
 tea tree oilFR
 terpineol acetateFR
 terpinoleneFL/FR
 tricyclo(5.2.1.02,6)dec-3-enyl acetateFR
 tricyclodecenyl acetateFR
 woody amyleneFR

potential uses :
 alpine bouquet
 balsam
 citrus
 fir
 grass green grass
 herbal
 pine
 woody

natural occurrence in :    note
 carrot S

information only - not sold by The Good Scents Company.



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