neryl acetone
organoleptics  properties  safety  references    Home Page
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :(5Z)-6,10-dimethylundeca-5,9-dien-2-one
InChI :InChI=1/C13H22O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h7,9H,5-6,8,10H2,1-4H3/b12-9-
InChIKey :HNZUNIKWNYHEJJ-XFXZXTDPBA
SMILES :CC(=CCC/C(=C\CCC(=O)C)/C)C
cas number :3879-26-3
beilstein number :1722276
molar refractivity :62.10 ± 0.3 cm3
parachor :521.2 ± 4.0 cm3
index of refraction :1.459 ± 0.02
surface tension :27.7 ± 3.0 dyne/cm
density :0.855 ± 0.06 g/cm3
polarizability :24.62 ± 0.5 10-24cm3
XlogP : 3.60
molecular weight : 194.3131800
formula :C13 H22 O
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified

organoleptics :
odor strength :medium
odor description :
at 100.00 %.  
fatty metallic

properties :
appearence :colorless to pale yellow clear liquid
assay : 90.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.86800 @ 25.00 °C.
refractive index :1.46700 @ 20.00 °C.
boiling point : 80.00 °C. @ 0.03 mm Hg
boiling point : 106.00 to 107.00 °C. @ 760.00 mm Hg
flash point : 225.00  °F.  TCC  ( 107.22 °C. )
logP (o/w) : 4.13
shelf life : 12.00 month(s) or longer if stored properly.
storage :refrigerate in tightly sealed containers.

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 37/39 - Wear suitable gloves and eye/face protection.
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
 
recommendation for neryl acetone usage levels up to :
  10.0000 % in the fragrance concentrate.

safety references :
EPI System :view
 
WGK Germany :3
 
 
 
 (5Z)-6,10-dimethylundeca-5,9-dien-2-one
chemidplus :3879-26-3
EPA Substance Registry Services :3879-26-3

references :
 (5Z)-6,10-dimethylundeca-5,9-dien-2-one
NIST Chemistry WebBook :1637765976
pubchem :10521272

other :
VCF-Online: VCF Volatile Compounds in Food
synonyms :
(Z)-6,10-dimethyl-5,9-undecadien-2-one
cis-6,10-dimethyl-5,9-undecadien-2-one
(5Z)-6,10-dimethylundeca-5,9-dien-2-one
(Z)-geranyl acetone
(Z)-neryl acetone

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) blends with :
 aldehydic nitrile
alpha-amyl cinnamaldehyde / methyl anthranilate schiff's base
 benzyl lactate
 decanol
(E)-4-decen-1-al
3,7-dimethyl-6-octenoic acid
 gardenia concrete
 honeysuckle absolute
 lily of the valley absolute
 methyl undecylenate
 mimosa concrete france
 nonanol
 petal pyranone
 undecanal propylene glycol acetal

(odor and/or flavor) used in :
 coffee
 floral

natural occurrence in :
coffee



information only - not sold by The Good Scents Company.



Please share your Information / Comments.

Your email Address:



Top of Page          The Good Scents Company Home

Copyright © 1980-2009 The Good Scents Company Disclaimer Privacy Policy
Html Last modified 08/04/2009