nopyl acetate
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Notes :
good for ocean effects.
 
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IUPAC name :2-(7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)ethyl acetate
InChI :InChI=1/C13H20O2/c1-9(14)15-7-6-10-4-5-11-8-12(10)13(11,2)3/h4,11-12H,5-8H2,1-3H3
InChIKey :AWNOGHRWORTNEI-UHFFFAOYAZ
SMILES :CC(=O)OCCC1=CCC2CC1C2(C)C
cas number :128-51-8
(EINECS) number :204-891-9
molar refractivity :59.62 ± 0.3 cm3
parachor :493.2 ± 6.0 cm3
index of refraction :1.482 ± 0.02
surface tension :31.0 ± 3.0 dyne/cm
density :0.996 ± 0.06 g/cm3
polarizability :23.63 ± 0.5 10-24cm3
XlogP : 3.60
molecular weight : 208.2967000 (IUPAC)
formula :C13 H20 O2
BioActivity Analysis :68124
NMR Predictor :Predict
 
 
export tariff code :2915.39.9050
fda reg :unspecified

Suppliers :
Berje :Nopyl Acetate
Inoue :NOPYL ACETATE
John D. Walsh :Nopyl Acetate
Moellhausen :nopyl acetate
98% min. nature identical kosher
Penta :nopyl acetate
Takasago :Nopyl Acetate
≥98% as Nopyl acetate
Odor:  Sweet, woody-fruity
Used mainly in citrus, orange-flower, and fougeres. Widely used in household fragrances.
Ungerer :Nopyl Acetate
Vigon :Nopyl Acetate

organoleptics :
odor type :herbal
odor strength :medium
odor description:
at 100.00 %.  
herbal linalyl acetate woody pine lavender
Luebke, William tgsc, (1989)
odor sample from :Ungerer & Company, Inc.
substantivity :4  Hour(s)

properties :
appearence :colorless clear liquid
assay : 97.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.97600 to 0.98400 @ 25.00 °C.
pounds per gallon - calc. : 8.121 to 8.188
specific gravity :0.97700 to 0.98500 @ 20.00 °C.
pounds per gallon - calc. : 8.139 to 8.206
refractive index :1.47000 to 1.47600 @ 20.00 °C.
boiling point : 118.00 °C. @ 10.00 mm Hg
flash point : 225.00  °F.  TCC  ( 107.22 °C. )
logP (o/w) : 3.99
shelf life : 24.00 month(s) or longer if stored properly.
storage :store in cool, dry place in tightly sealed containers, protected from heat and light.

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    3000.00  mg/kg
Food and Cosmetics Toxicology. Vol. 12, Pg. 943, 1974.

Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 

safety in use :
Category :fragrance agents
 
recommendation for nopyl acetate fragrance usage levels up to :
  25.0000 % in the fragrance concentrate.
recommendation for nopyl acetate flavor usage levels up to :
 not for flavor use.

safety references :
msds :msds
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)ethyl acetate
(EINECS) number :204-891-9
chemidplus :000128518
EPA Substance Registry Services :128-51-8
dtp/nci :1286

references :
 
2-(7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)ethyl acetate
NIST Chemistry WebBook :405444251
pubchem :679033

Cosmetics :
Cosmetic uses : masking agents

other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
 C of A
synonyms :
6,6-dimethyl bicyclo(3.1.1)-2-heptene-2-ethyl acetate
6,6-dimethyl bicyclo(3.1.1)hept-2-ene-2-ethanol acetate
6,6-dimethyl bicyclo(3.1.1)hept-2-ene-2-ethanyl acetate
6,6-dimethyl-2-norpinene-2-ethanyl acetate
2-(7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)ethyl acetate
 lignyl acetate
2-pinene-10-methyl acetate

soluble in :
 alcohol

insoluble in :
 water

potential blenders :    note
 abies alba mill oilFL/FR
 amber carbinolFR
 ambroxanFL/FR
isoamyl salicylateFL/FR
 angelica root oilFL/FR
para-anisyl acetateFL/FR
para-anisyl alcoholFL/FR
 benzoin resinoidFL/FR
 benzyl acetateFL/FR
 benzyl isobutyrateFL/FR
 benzyl propionateFL/FR
 benzyl salicylateFL/FR
 bergamot oilFL/FR
 blood orange oilFL/FR
 bois de rose oilFL/FR
isobornyl acetateFL/FR
laevo-bornyl acetateFL/FR
 cardamom seed oilFL/FR
 cedarwood oils 
 chamomile oilFL/FR
 cistus oilFL/FR
 citralFL/FR
 citronella oils 
 citronellolFL/FR
 citronellyl acetateFL/FR
 citrus carbaldehydeFR
 clary sage oilFL/FR
 clover nitrileFR
 coriander seed oilFL/FR
 cyclamen aldehydeFL/FR
 cyclohexyl ethyl alcoholFL/FR
 cypress oilFR
beta-decalyl acetateFR
 decanalFL/FR
 decanolFL/FR
 decyl acetateFL/FR
 dihydromyrcenolFL/FR
 dihydroterpinyl acetateFL/FR
 dimethyl anthranilateFL/FR
 dimethyl phenethyl carbinyl isobutyrateFL/FR
 dodecanalFL/FR
 dodecanolFL/FR
 ethyl cinnamateFL/FR
 ethyl laurateFL/FR
 ethyl maltolFL/FR
 ethyl vanillinFL/FR
 fir balsam absoluteFR
 fir needle oilFL/FR
 floral pyranolFR
 frankincense oilFL/FR
 galbanum oilFL/FR
 geraniolFL/FR
 geranyl acetateFL/FR
 grapefruit oilFL/FR
 grapefruit pentanolFR
 green acetateFR
 gurjun balsam oilFR
(Z)-3-hexen-1-yl benzoateFL/FR
(Z)-3-hexen-1-yl salicylateFL/FR
alpha-hexyl cinnamaldehydeFL/FR
 ho leaf oilFR
 hyacinth etherFR
2,4-ivy carbaldehydeFL/FR
 juniper berry oilFL/FR
 juniper berry oilFL/FR
 labdanum resinoidFR
 lavender absoluteFL/FR
 lemon oilFL/FR
 lime oilFL/FR
 linaloolFL/FR
laevo-linaloolFL/FR
 linalool oxideFL/FR
 litsea cubeba oilFL/FR
para-mentha-1,3-dieneFL/FR
 methyl dihydrojasmonateFL/FR
 muguet carboxaldehydeFR
 muguet octadienolFR
 musks 
 nerolFL/FR
 neryl acetateFL/FR
 nonanalFL/FR
 nonanolFL/FR
 nopyl acetateFR
 ocean propanalFL/FR
 octanalFL/FR
 orange oilFL/FR
 orangeflower absoluteFL/FR
 orris pyridineFR
 patchouli ethanoneFR
 patchouli oilFL/FR
 pepper oil blackFL/FR
 petitgrain lemon oilFL/FR
 petitgrain oilFL/FR
 phenethyl acetateFL/FR
 phenethyl alcoholFL/FR
 phenyl acetaldehyde dimethyl acetalFL/FR
3-phenyl propionaldehydeFL/FR
 rose butanoateFL/FR
 rosemary oilFL/FR
 sage oilFL/FR
 santallFR
 spruce oilFL/FR
 styralyl acetateFL/FR
alpha-terpineolFL/FR
alpha-terpinyl acetateFL/FR
 tetrahydrolinaloolFL/FR
 tetrahydromyrcenolFR
para-tolyl aldehydeFL/FR
 valerian root oilFL/FR
 verbena oilFL
 woody acetateFR
 woody amyleneFR
 woody propanolFR

potential uses :
 balsam
 bergamot
 bubblegum
 cedar
 citrus
 cologne
 fern fougere
 floral
 jasmin
 lavender
 neroli
 ocean sea breeze
 petitgrain
 pine
 rain spring rain
 tide
 woody

natural occurrence in :    note
 found in nature  



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