nopyl aldehyde
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Notes :
Galbanum replacer.
 
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)acetaldehyde
InChI :InChI=1/C11H16O/c1-11(2)9-4-3-8(5-6-12)10(11)7-9/h3,6,9-10H,4-5,7H2,1-2H3
InChIKey :BLKPFVWYBFDTPX-UHFFFAOYAU
SMILES :CC1(C2CC=C(C1C2)CC=O)C
cas number :30897-75-7
(EINECS) number :250-376-7
molar refractivity :48.76 ± 0.3 cm3
parachor :396.5 ± 6.0 cm3
index of refraction :1.486 ± 0.02
surface tension :29.7 ± 3.0 dyne/cm
density :0.967 ± 0.06 g/cm3
polarizability :19.33 ± 0.5 10-24cm3
XlogP : 3.40
molecular weight : 180.2435400 (IUPAC)
formula :C11 H16 O2
NMR Predictor :Predict
 
 
export tariff code :2915.13.0000
fda reg :unspecified
organoleptics :
odor type :woody
odor strength :medium ,
recommend smelling in a 1.00 % solution or less
odor description:
at 1.00 % in dipropylene glycol.  		woody pine linseed
properties :
appearence :colorless clear liquid
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.00400 to 1.01000 @ 25.00 °C.
pounds per gallon - calc. : 8.354 to 8.404
boiling point : 210.00 to 211.00 °C. @ 760.00 mm Hg
flash point : 171.00  °F.  TCC  ( 77.22 °C. )
logP (o/w) : 3.20
safety :
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :fragrance agents
 
recommendation for nopyl aldehyde fragrance usage levels up to :
  1.0000 % in the fragrance concentrate.
recommendation for nopyl aldehyde flavor usage levels up to :
 not for flavor use.
safety references :
EPI System :view
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :2
 
 
 
 
2-(7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)acetaldehyde
(EINECS) number :250-376-7
chemidplus :030897757
EPA Substance Registry Services :30897-75-7
references :
 
2-(7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)acetaldehyde
pubchem :746737
other :
synonyms :
6,6-dimethyl bicyclo(3.1.1)hept-2-en-2-acetaldehyde
2-(7,7-dimethyl-4-bicyclo(3.1.1)hept-3-enyl) acetaldehyde
2-(7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)acetaldehyde
soluble in :
 alcohol
insoluble in :
 alcohol
potential blenders :    note
isoamyl laurateFL/FR
 borneolFL/FR
laevo-borneolFL/FR
 bornyl acetateFL/FR
laevo-bornyl acetateFL/FR
isobornyl methyl etherFR
isobutyl furyl propionateFL/FR
 cedarwood oil port orfordFR
 cedarwood oil virginiaFR
beta-homocyclocitralFL/FR
 cypress oilFR
(E+Z)-4,8-dimethyl-3,7-nonadien-2-olFL/FR
 ethyl (E)-4-decenoateFL/FR
 fenchyl alcoholFL/FR
 green methanoindeneFR
 gurjun balsamFR
6-hydroxydihydrotheaspirane (mixture of isomers)FL/FR
ortho-methoxycinnamaldehydeFL/FR
 myrtenolFL/FR
 myrtenyl formateFL/FR
 myrtenyl isobutyrate 
 nopyl acetateFR
 orris absoluteFL/FR
 pepper oleoresin whiteFL
(Z)-2-pinanolFR
 pine needle oil scotch siberiaFL/FR
(+)-beta-pineneFL/FR
laevo-beta-pineneFL/FR
 pinocarveolFL/FR
gamma-terpineneFL/FR
 terpinoleneFL/FR
 tricyclodecenyl acetateFR
potential uses :
 bergamot
 enhancer
 galbanum
 rosemary
natural occurrence in :    note
 not found in nature  

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