tetrahydrolinalyl acetate
Suppliers  organoleptics  properties  safety  references  cosmetics    FEMA Index    Home Page
 
Right Click Jmol Molecule For More Options. (Safari 1.2 (v125) Compatible). Jmol is a free download found Here.
 
IUPAC name :3,7-dimethyloctan-3-yl acetate
InChI :InChI=1/C12H24O2/c1-6-12(5,14-11(4)13)9-7-8-10(2)3/h10H,6-9H2,1-5H3
InChIKey :RBKRCARRXLFUGJ-UHFFFAOYAC
SMILES :CCC(C)(CCCC(C)C)OC(=O)C
cas number :20780-48-7
(EINECS) number :244-033-0
molar refractivity :59.34 ± 0.3 cm3
parachor :526.7 ± 4.0 cm3
index of refraction :1.428 ± 0.02
surface tension :27.2 ± 3.0 dyne/cm
density :0.868 ± 0.06 g/cm3
polarizability :23.52 ± 0.5 10-24cm3
XlogP : 4.50
molecular weight : 200.3177600 (IUPAC)
formula :C12 H24 O2
NMR Predictor :Predict
 
 
export tariff code :2915.39.9050
fda reg :unspecified
Suppliers :
Berje :Tetra Hydro Linalyl Acetate
Penta :tetrahydrolinalyl acetate
Vigon :Tetrahydrolinalyl Acetate
Odor:  FRESH, FLORAL, FRUITY, DRY, SLIGHTLY HERBACEOUS
organoleptics :
odor type :floral
odor strength :medium
odor description¹ :
at 100.00 %.  		fresh woody bergamot citrus floral
odor sample from :Givaudan Corporation
substantivity :12  Hour(s)
properties :
appearence :colorless clear liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.85600 to 0.86600 @ 25.00 °C.
pounds per gallon - calc. : 7.123 to 7.206
refractive index :1.41600 to 1.42600 @ 20.00 °C.
vapor pressure :0.08000 mm/Hg @ 20.00 °C.
flash point : 167.00  °F.  TCC  ( 75.00 °C. )
logP (o/w) : 4.41
safety :
most important hazard(s) :Xi N - Irritant, Dangerous for the environment.
  R 38 - Irritating to skin.
R 51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
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) :
  Oral-Rat    4000.00  mg/kg

Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 
safety in use :
 
recommendation for tetrahydrolinalyl acetate fragrance usage levels up to :
  10.0000 % in the fragrance concentrate.
recommendation for tetrahydrolinalyl acetate flavor usage levels up to :
 not for flavor use.
safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
WISER :UN 3082
 
WGK Germany :2
 
 
 
 
3,7-dimethyloctan-3-yl acetate
(EINECS) number :244-033-0
chemidplus :020780487
EPA Substance Registry Services :20780-48-7
references :
 
3,7-dimethyloctan-3-yl acetate
NIST Chemistry WebBook :1309433470
pubchem :666164
Cosmetics :
Cosmetic uses : perfuming agents
other :
reference : Luebke, William tgsc, (1985)¹
CosIng :cosmetic data
RIFM :listed
FMA :listed
synonyms :
3,7-dimethyl octan-3-yl acetate
3,7-dimethyloctan-3-yl acetate
 tetrahydrolavandulyl acetate
soluble in :
 alcohol
insoluble in :
 water
potential blenders :
 amyl salicylateFL/FR
isoamyl salicylateFL/FR
 bergamot acetoacetateFR
 bergamot mint oilFR
 bergamot oil bergaptene freeFL/FR
beta-bisabololFL/FR
isobutyl benzyl carbinolFL/FR
 butyl tiglateFL/FR
 carnation absoluteFR
 carrot seed oil spainFL/FR
 chamomile isobutyrateFR
 chrysanthemum ketoneFR
 citronellyl formateFL/FR
 coriander seed absoluteFL/FR
 coriander seed oilFL/FR
 cuminyl acetateFL/FR
2-decalinyl acetateFR
 decanalFL/FR
8,9-dehydrotheaspironeFL/FR
 dihydro-beta-ionolFL/FR
 dihydromyrcenyl acetateFR
3',4'-dimethoxyacetophenoneFL/FR
 dimethyl salicylateFL/FR
2,4-dimethyl-3-cyclohexene-1-methanolFR
2-dodecanoneFL/FR
 ethyl linaloolFL/FR
 ethyl linalyl acetalFR
2-ethyl-1-hexanolFL/FR
10-epi-gamma-eudesmolFL/FR
 farneseneFL/FR
 green methanoindeneFR
2-heptanolFL/FR
 heptyl formateFL/FR
 herbal pyranFR
(E,E)-2,4-hexadien-1-alFL
(E)-2-hexen-1-yl salicylateFR
 ho wood oilFL/FR
 immortelle flower oilFL/FR
beta-ionolFL/FR
pseudoiononeFL
(Z)-jasmoneFL/FR
 karo karounde absoluteFR
 lavandin oilFL/FR
 lavender absoluteFL/FR
 lavender concreteFL/FR
 lavender oilFL/FR
 lavender oil franceFL/FR
 lavender oil greeceFL/FR
 lepidineFL/FR
 linalyl acetateFL/FR
dextro-linalyl acetateFL/FR
laevo-linalyl acetateFL/FR
 linalyl benzoateFL/FR
 linalyl butyrateFL/FR
 linalyl formateFL/FR
 linalyl isobutyrateFL/FR
 linalyl isovalerateFL/FR
 linalyl propionateFL/FR
 mandarin oil uruguayFL/FR
 methyl beta-iononeFL/FR
 methyl cyclogeranateFR
alpha-methylene citronellalFR
 muhuhu wood oilFL/FR
 myrcenolFL/FR
 myrcenyl acetateFL/FR
 myrtle oilFL/FR
 nerolidyl isobutyrateFL/FR
 neryl isovalerateFL/FR
 nonisyl propionateFR
 ocimen-1-yl acetateFR
(Z)-beta-ocimeneFL/FR
3-octyl acetateFL/FR
 patchouli ethanoneFR
(Z)-2-penten-1-yl hexanoateFL/FR
isophytolFL/FR
 prenyl salicylateFL/FR
 safroleFL
 sassafras oilFL
 spicy carbonateFR
alpha-terpineolFL/FR
 terpineol acetateFR
 terpinyl formateFL/FR
 terpinyl isobutyrateFL/FR
alpha-terpinyl methyl etherFL/FR
(±)-2,4,8-trimethyl-7-nonen-2-olFL/FR
 undecanal dimethyl acetalFR
 undecanolFL/FR
10-undecen-1-olFL/FR
 woody amyleneFR
potential uses :
 bergamot
 citrus
 herbal
 lavender
 oriental
 rose
 woody
natural occurrence in :
 not found in nature  



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 © 1980-2010 The Good Scents Company Disclaimer Privacy Policy
Html Last modified 01/27/2010