citronellyl ethoxalate
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IUPAC name :1-O-(3,7-dimethyloct-6-enyl) 2-O-ethyl oxalate
InChI :InChI=1/C14H24O4/c1-5-17-13(15)14(16)18-10-9-12(4)8-6-7-11(2)3/h7,12H,5-6,8-10H2,1-4H3
InChIKey :VCHQSPDXMJAXJI-UHFFFAOYAB
SMILES :CCOC(=O)C(=O)OCCC(C)CCC=C(C)C
cas number :60788-25-2
(EINECS) number :262-433-3
molar refractivity :70.31 ± 0.3 cm3
parachor :619.3 ± 4.0 cm3
index of refraction :1.452 ± 0.02
surface tension :32.0 ± 3.0 dyne/cm
density :0.984 ± 0.06 g/cm3
polarizability :27.87 ± 0.5 10-24cm3
XlogP : 4.20
XlogP3-AA : 4.40
molecular weight : 256.3379600 (IUPAC)
formula :C14 H24 O4
NMR Predictor :Predict
 
 
export tariff code :2917.11.0000
fda reg :unspecified
organoleptics :
odor type :floral
odor strength :medium
odor description¹ :
at 100.00 %.  		sweet lily muguet rose aldehydic lychee waxy
odor sample from :International Flavors & Fragrances Inc.
substantivity :400  Hour(s)
properties :
appearence :pale yellow clear liquid
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.96900 to 9.77000 @ 25.00 °C.
pounds per gallon - calc. : 8.063 to 81.296
specific gravity :9.70000 to 9.78000 @ 20.00 °C.
pounds per gallon - calc. :80.808 to 81.474
refractive index :1.44600 to 1.45000 @ 20.00 °C.
boiling point : 320.00 to 321.00 °C. @ 760.00 mm Hg
flash point :> 212.00  °F.  TCC  ( > 100.00 °C. )
logP (o/w) : 4.30
safety :
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :fragrance agents
 
recommendation for citronellyl ethoxalate fragrance usage levels up to :
  10.0000 % in the fragrance concentrate.
recommendation for citronellyl ethoxalate flavor usage levels up to :
 not for flavor use.
safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
 
 
 
1-O-(3,7-dimethyloct-6-enyl) 2-O-ethyl oxalate
(EINECS) number :262-433-3
chemidplus :060788252
EPA Substance Registry Services :60788-25-2
references :
 
1-O-(3,7-dimethyloct-6-enyl) 2-O-ethyl oxalate
pubchem :685872
Cosmetics :
Cosmetic uses : perfuming agents
other :
reference : Luebke, William tgsc, (1995)¹
CosIng :cosmetic data
FMA :listed
synonyms :
 citronellyl ethyl oxalate
3,7-dimethyloct-6-enyl ethyl oxalate
1-O-(3,7-dimethyloct-6-enyl) 2-O-ethyl oxalate
 ethane dioic acid 3,7-dimethyl-6-octenyl ethyl ester
 ethyl citronellyl oxalate
 oxalic acid 3,7-dimethyl-6-octenyl ethyl ester
soluble in :
 alcohol
insoluble in :
 water
potential blenders :    note
 acetyl nonyrylFL/FR
alpha-amyl cinnamaldehyde dimethyl acetalFL/FR
isoamyl undecylenateFL/FR
 benzyl anthranilateFL/FR
alpha-butyl cinnamaldehydeFL/FR
 citronellolFL/FR
 citronellyl oxyacetaldehydeFL/FR
 citronellyl phenyl acetateFL/FR
 citrus ocimenolFR
para-cresyl isobutyrateFL/FR
para-cresyl phenyl acetateFL/FR
para-cresyl propionaldehydeCS
 cumin carbinolFR
 cyclamen aldehyde / methyl anthranilate schiff's baseFR
 cyclamen homoaldehydeFR
 cyclohexyl ethyl alcoholFL/FR
 cyclohexyl propanolFR
2-decalinolFR
 decanal diethyl acetalFL/FR
(Z)-4-decen-1-alFL/FR
2-decen-1-alFL/FR
9-decen-1-alFL/FR
9-decen-1-olFL/FR
 decyl butyrateFL/FR
 dimethyl benzyl carbinyl formateFL/FR
2,6-dimethyl octanalFL/FR
 dimethyl octanolFL/FR
 ethyl linalyl acetalFR
 ethyl nonanoateFL/FR
(E,E)-farnesolFL/FR
 floral butanalFR
 floral pyranolFR
 freesia acetateFR
 gardenia decaloneFR
 geraniolFL/FR
(E)-geranyl acetoneFL/FR
 geranyl butyrateFL/FR
 geranyl oxyacetaldehydeFR
 green carbaldehydeFR
 hawthorn ethanolFR
2-heptyl tetrahydrofuranFR
 hydroxycitronellalFL/FR
 hydroxycitronellal / methyl anthranilate schiff's baseFR
 hydroxycitronellal diethyl acetalFL/FR
 hydroxycitronellal dimethyl acetalFL/FR
 hydroxycitronellolFL/FR
 jasimiaFR
 leerallFR
 leerall / methyl anthranilate schiff's baseFR
 lily pentanalFR
 lily propanolFR
 lilyallFR
 lilyall / methyl anthranilate schiff's baseFR
 linalyl benzoateFL/FR
 linalyl cinnamateFL/FR
 linalyl propionateFL/FR
 lychee mercaptan acetateFL/FR
 magnolia cyclohexanolFR
 magnolia decadienalFR
 methoxycitronellalFR
2-methyl octanalFL/FR
 muguet butanalFR
 muguet butanolFR
 muguet carbaldehydeFR
 muguet carbinolFL/FR
 muguet carboxaldehydeFR
 muguet ethanolFR
 muguet nitrileFR
 muguet octadienolFR
 muguet propanolFR
 muguet shiseolFL/FR
 muguet undecadienalFR
 myrmac aldehydeFR
 nonanalFL/FR
 nonanal / methyl anthranilate schiff's baseFR
 octanalFL/FR
 ozone propanalFR
 phenyl glycol diacetateFR
 rhodinolFL/FR
 rose absoluteFL/FR
 rose butanoateFL/FR
 rose oil turkeyFL/FR
alpha-terpinyl anthranilateFL/FR
 tetrahydrolinaloolFL/FR
 tetrahydromyrcenolFR
 tmh aldehydeFR
N-/i-undecanalFR
 undecanolFL/FR
10-undecen-1-alFL/FR
8-undecen-1-alFR
(E)-2-undecen-1-olFL/FR
2-undecen-1-olFL/FR
(E)-2-undecen-1-yl acetateFR
 waxy acetateFR
 waxy aldehydeFR
 waxy undecadienolFR
 ylang ylang oilFL/FR
potential uses :
 floral
 lilac lilas syringa
 lily
 lychee soapberry
 muguet lily of the valley
 musk
 rose
 rose tea rose
 strawberry
natural occurrence in :    note
 not found in nature  

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