tangerine acetate
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IUPAC name :[(5Z)-6,10-dimethylundeca-5,9-dien-2-yl] acetate
InChI :InChI=1/C15H26O2/c1-12(2)8-6-9-13(3)10-7-11-14(4)17-15(5)16/h8,10,14H,6-7,9,11H2,1-5H3/b13-10-
InChIKey :BXGLLMNDXKACMT-RAXLEYEMBN
SMILES :CC(CC\C=C(\C)/CCC=C(C)C)OC(=O)C
cas number :3239-37-0
(EINECS) number :221-805-5
molar refractivity :73.07 ± 0.3 cm3
parachor :617.8 ± 4.0 cm3
index of refraction :1.459 ± 0.02
surface tension :28.7 ± 3.0 dyne/cm
density :0.893 ± 0.06 g/cm3
polarizability :28.96 ± 0.5 10-24cm3
XlogP : 4.70
molecular weight : 238.3657400 (IUPAC)
formula :C15 H26 O2
NMR Predictor :Predict
 
 
IUPAC name :[(5E)-6,10-dimethylundeca-5,9-dien-2-yl] acetate
InChI :InChI=1/C15H26O2/c1-12(2)8-6-9-13(3)10-7-11-14(4)17-15(5)16/h8,10,14H,6-7,9,11H2,1-5H3/b13-10+
InChIKey :BXGLLMNDXKACMT-JLHYYAGUBR
SMILES :CC(CC\C=C(/C)\CCC=C(C)C)OC(=O)C
cas number :3239-35-8
(EINECS) number :221-803-4
molar refractivity :73.07 ± 0.3 cm3
parachor :617.8 ± 4.0 cm3
index of refraction :1.459 ± 0.02
surface tension :28.7 ± 3.0 dyne/cm
density :0.893 ± 0.06 g/cm3
polarizability :28.96 ± 0.5 10-24cm3
XlogP : 4.70
molecular weight : 238.3657400 (IUPAC)
formula :C15 H26 O2
NMR Predictor :Predict
 
 
IUPAC name :[(5E)-6,10-dimethylundeca-5,9-dien-2-yl] acetate
InChI :InChI=1/C15H26O2/c1-12(2)8-6-9-13(3)10-7-11-14(4)17-15(5)16/h8,10,14H,6-7,9,11H2,1-5H3/b13-10+
InChIKey :BXGLLMNDXKACMT-JLHYYAGUBR
SMILES :CC(CC\C=C(/C)\CCC=C(C)C)OC(=O)C
cas number :91482-37-0
molar refractivity :73.07 ± 0.3 cm3
parachor :617.8 ± 4.0 cm3
index of refraction :1.459 ± 0.02
surface tension :28.7 ± 3.0 dyne/cm
density :0.893 ± 0.06 g/cm3
polarizability :28.96 ± 0.5 10-24cm3
XlogP : 4.70
molecular weight : 238.3657400 (IUPAC)
formula :C15 H26 O2
NMR Predictor :Predict
 
 
export tariff code :2915.39.9050
fda reg :unspecified
Suppliers :
Givaudan :Tangerinol
Odor:  Citrus, Fresh, Fruity, Bitter
Due to its hesperidian character, Tangerinol blends well with fresh and sparkling compounds. Mixed with aldehydes and fruity notes, it gives more natural volume. Tangerinol is also effective as a sandalwood booster in soap.
Vigon :Tangerinol
Odor:  POWERFUL, GREEN, CITRUS-LIKE
organoleptics :
odor type :citrus
odor strength :medium
odor description:
at 100.00 %.  		green citrus iodine tangerine seaweed waxy fresh bitter
Luebke, William tgsc, (2006)
odor sample from :Vigon International, Inc.
substantivity :72  Hour(s)
properties :
appearence :colorless to pale yellow clear liquid
assay : 98.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :0.88800 to 0.89200 @ 25.00 °C.
pounds per gallon - calc. : 7.389 to 7.422
refractive index :1.45600 to 1.46000 @ 20.00 °C.
boiling point : 294.00 to 295.00 °C. @ 760.00 mm Hg
vapor pressure :0.00680 mm/Hg @ 20.00 °C.
flash point : 197.00  °F.  TCC  ( 91.67 °C. )
logP (o/w) : 5.80
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    >8000.00  mg/kg

Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :fragrance agents
 
recommendation for tangerine acetate fragrance usage levels up to :
  5.0000 % in the fragrance concentrate.
recommendation for tangerine 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
 
 
 
 
[(5Z)-6,10-dimethylundeca-5,9-dien-2-yl] acetate
(EINECS) number :221-805-5
chemidplus :003239370
EPA Substance Registry Services :3239-37-0
 
 
 
[(5E)-6,10-dimethylundeca-5,9-dien-2-yl] acetate
(EINECS) number :221-803-4
chemidplus :003239358
EPA Substance Registry Services :3239-35-8
 
 
 
[(5E)-6,10-dimethylundeca-5,9-dien-2-yl] acetate
chemidplus :91482-37-0
EPA Substance Registry Services :91482-37-0
references :
 
[(5Z)-6,10-dimethylundeca-5,9-dien-2-yl] acetate
pubchem :679811
 
[(5E)-6,10-dimethylundeca-5,9-dien-2-yl] acetate
pubchem :653797
 
[(5E)-6,10-dimethylundeca-5,9-dien-2-yl] acetate
pubchem :91482-37-0
Cosmetics :
Cosmetic uses : perfuming agents
other :
CosIng :cosmetic data
 C of A
synonyms :
cis-dihydropseudoionyl acetate
trans-dihydropseudoionyl acetate
(Z)-6,10-dimethyl undeca-5,9-dien-2-yl acetate
(E)-6,10-dimethyl-5,9-undecadien-2-ol acetate
(E+Z)-6,10-dimethyl-5,9-undecadien-2-ol acetate
6,10-dimethyl-5,9-undecadien-2-yl acetate
[(5Z)-6,10-dimethylundeca-5,9-dien-2-yl] acetate
 tangerine acetate
 tangerinol
soluble in :
 alcohol
insoluble in :
 water
potential blenders :    note
6-acetoxydihydrotheaspiraneFL/FR
 algae absoluteFR
para-anisyl formateFL/FR
 blood orange oilFL/FR
 citral diethyl acetalFL/FR
 citronellalFL/FR
 citronellyl butyrateFL/FR
 citrus carbaldehydeFR
 decanal dimethyl acetalFL/FR
(E,E,Z)-2,4,7-decatrien-1-alFL
2,4,7-decatrien-1-alFL
isodecyl acetateFR
 dihydrocitronellyl ethyl etherFR
 ethyl ethyl anthranilateFL/FR
 floral nitrileFR
 green carboxylateFR
 green hexanalFL/FR
(Z)-3-hexen-1-yl oxyacetaldehydeFR
 ivy carbaldehydeFL/FR
2,4-ivy carbaldehydeFL/FR
3,5-ivy carbaldehydeFL/FR
3,6-ivy carbaldehydeFL/FR
 lavandin oil grossoFL/FR
 lime octenolFL/FR
(Z)-linalool oxide (pyranoid)FL/FR
 linalyl acetateFL/FR
dextro-linalyl acetateFL/FR
laevo-linalyl acetateFL/FR
 linalyl formateFL/FR
 marine decadienalFR
 marine hexaneFR
 marine nitrileFR
 marine pyridineFR
 melon heptenal propylene glycol acetalFL/FR
 methyl acetoacetateFL
 methyl heptenoneFL/FR
alpha-methylene citronellalFR
 mikan peel oilCS
 muguet carboxaldehydeFR
 nerolidolFL/FR
(E,E)-2,6-nonadien-1-alFL/FR
 nonanal dimethyl acetalFL/FR
 ocean carboxaldehydeFR
 octanal diethyl acetalFL/FR
(E)-2-octen-1-olFL/FR
 orange nitrileFR
 propylene glycol dibenzoateCS
 seaweed absoluteFL/FR
 tangerine nitrileFR
 tangerine oilFL/FR
 tangerine oil terpenelessFL/FR
 treemoss absoluteFR
(E)-2-tridecen-1-alFL/FR
2-tridecen-1-alFL/FR
 undecanalFL/FR
 watermelon ketoneFR
potential uses :
 aldehydic
 citrus
 green
 iodine
 ocean sea
 sandalwood
 seaweed
 tangerine
natural occurrence in :    note
 not found in nature  


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