lime octenol
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IUPAC name :2,6-dimethyloct-7-en-2-ol
InChI :InChI=1/C10H20O/c1-5-9(2)7-6-8-10(3,4)11/h5,9,11H,1,6-8H2,2-4H3
InChIKey :XSNQECSCDATQEL-UHFFFAOYAC
SMILES :CC(CCCC(C)(C)O)C=C
cas number :18479-58-8
% from :35.00% to 55.00%
(EINECS) number :242-362-4
beilstein number :1840872
fl. number :02.144
molar refractivity :49.56 ± 0.3 cm3
parachor :428.2 ± 4.0 cm3
index of refraction :1.443 ± 0.02
surface tension :27.7 ± 3.0 dyne/cm
density :0.837 ± 0.06 g/cm3
polarizability :19.64± 0.5 10-24cm3
XlogP : 3.60
molecular weight : 156.2652000 (IUPAC)
formula :C10 H20 O
NMR Predictor :Predict
 

 
IUPAC name :2,6-dimethyloct-7-en-2-yl formate
InChI :InChI=1/C11H20O2/c1-5-10(2)7-6-8-11(3,4)13-9-12/h5,9-10H,1,6-8H2,2-4H3
InChIKey :ONXALCWZXZZQSG-UHFFFAOYAQ
SMILES :CC(CCCC(C)(C)OC=O)C=C
cas number :25279-09-8
% from :40.00% to 60.00%
(EINECS) number :246-788-1
molar refractivity :54.59 ± 0.3 cm3
parachor :479.8 ± 4.0 cm3
index of refraction :1.434 ± 0.02
surface tension :27.6 ± 3.0 dyne/cm
density :0.880 ± 0.06 g/cm3
polarizability :21.64 ± 0.5 10-24cm3
XlogP : 4.10
molecular weight : 184.2753000 (IUPAC)
formula :C11 H20 O2
NMR Predictor :Predict
 

 
export tariff code :unspecified
fda reg :unspecified

Suppliers :
Berje :Dimyrcetol
IFF :Dimyrcetol
Odor:  Citrus, Herbal, Fresh
A fresh citrus of great power. Excellent performance to cost ratio.
John D. Walsh :Dimyrcetol
Moellhausen :dimyrcetol
artifical kosher
Odor:  citrus, lime, bergamot, floreal, sweet
Flavor:  fresh, citrus
Penta :dimyrcetol
Takasago :Myrcetol
43-52% as Dihydromyrcenol & 52-43% as the formate
Odor:  Citrusy-floral and sweet
Used in colognes, shampoos, soaps, detergents, and floral-fresh types.

organoleptics :
odor strength :medium
odor description:
at 100.00 %.  
fresh lime cologne herbal air marine

properties :
appearence :colorless to pale yellow clear liquid
assay : 40.00 to  60.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.85700 to 0.86500 @ 25.00 °C.
pounds per gallon - calc. : 7.131 to 7.198
specific gravity :0.85800 to 0.86600 @ 20.00 °C.
pounds per gallon - calc. : 7.148 to 7.214
refractive index :1.43400 to 1.43900 @ 20.00 °C.
flash point : 176.00  °F.  TCC  ( 80.00 °C. )
logP (o/w) : 2.99

safety :
Oral Toxicity(LD50) : 
  Oral-Rat    3600.00  mg/kg
(Moreno, 1973o)

Dermal Toxicity(LD50) : 
  Skin-Rabbit  >5000.00  mg/kg

Inhalation Toxicity(LC50) : 
  Not determined
 

safety in use :
Category :fragrance agents
 
recommendation for lime octenol fragrance usage levels up to :
  75.0000 % in the fragrance concentrate.

safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
 
 
 
2,6-dimethyloct-7-en-2-ol
(EINECS) number :242-362-4
RTECS :RH3420000 for cas# 18479-58-8
chemidplus :018479588
EPA Substance Registry Services :18479-58-8
 
 
 
2,6-dimethyloct-7-en-2-yl formate
(EINECS) number :246-788-1
chemidplus :025279098
EPA Substance Registry Services :25279-09-8

references :
 
2,6-dimethyloct-7-en-2-ol
fl. number :02.144
NIST Chemistry WebBook :136687376
pubchem :171477
Flavornet :18479-58-8
 
2,6-dimethyloct-7-en-2-yl formate
pubchem :668113

other :
synonyms :
 dihydromyrcenyl formate + dihydromyrcenol
2,6-dimethyl oct-7-en-2-yl formate + 2,6-dimethyl oct-7-en-2-ol
2,6-dimethyloct-7-en-2-ol
 dimyrcetol

soluble in :
 alcohol

insoluble in :
 water

potential blenders :    note
 algae absoluteFR
 citronellyl ethyl etherFR
 citrus carbaldehydeFR
 cyclamen propanalFR
 decanolFL/FR
(Z)-4-decen-1-alFL/FR
 dihydro-alpha-terpinyl acetateFR
 dihydromyrcenolFL/FR
 dihydroterpinyl acetateFL/FR
 floral nitrileFR
(Z)-geranyl ethyl etherFR
homogeranyl nitrileFR
 jasimiaFR
 jasmin acetateFL/FR
 lilyallFR
 marine decadienalFR
 marine hexaneFR
 marine nitrileFR
 methoxymelonalFR
2-methyl decanalFL/FR
 muguet carboxaldehydeFR
 ocean carboxaldehydeFR
 ocean propanalFL/FR
 ocimen-1-yl acetateFR
 ocimenolFL/FR
(Z)-5-octen-1-olFL/FR
 orange nitrileFR
 tangerine nitrileFR
 watermelon ketoneFR
 waxy aldehydeFR

potential uses :
 citrus
 lime

natural occurrence in :    note
 not found in nature  

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