linalyl benzoate
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Notes :
Blends well with floral and oriental notes.
 
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IUPAC name :3,7-dimethylocta-1,6-dien-3-yl benzoate
InChI :InChI=1/C17H22O2/c1-5-17(4,13-9-10-14(2)3)19-16(18)15-11-7-6-8-12-15/h5-8,10-12H,1,9,13H2,2-4H3
InChIKey :BTJXBZZBBNNTOV-UHFFFAOYAS
SMILES :CC(=CCCC(C)(C=C)OC(=O)C1=CC=CC=C1)C
cas number :126-64-7
(EINECS) number :204-796-2
fema number :2638
coe number :654
jecfa number :859
fl. number :09.771
molar refractivity :79.31 ± 0.3 cm3
parachor :637.6 ± 4.0 cm3
index of refraction :1.511 ± 0.02
surface tension :33.8 ± 3.0 dyne/cm
density :0.976 ± 0.06 g/cm3
polarizability :31.44 ± 0.5 10-24cm3
XlogP : 4.90
molecular weight : 258.3553800 (IUPAC)
formula :C17 H22 O2
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :172.515
Suppliers :
Fleurchem :linalyl benzoate
Givaudan :Linalyl Benzoate
Odor:  Floral, Tuberose
Linalyl Benzoate has a beautiful floral, tuberose character. It blends extremely well in oriental and floral types where its use gives warmth and softness.
Penta :linalyl benzoate
SAFC Global® :Linalyl benzoate
Kosher
Odor:  gardenia; jasmine
Vigon :Linalyl Benzoate
Odor:  Floral, Tuberose
organoleptics :
odor type :floral
odor strength :medium
odor description:
at 100.00 %.  		broom tuberose genet bergamot lily heather
substantivity :12  Hour(s)
properties :
appearence :yellow to brownish clear liquid
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.97800 to 0.99900 @ 25.00 °C.
pounds per gallon - calc. : 8.138 to 8.313
refractive index :1.50500 to 1.52600 @ 20.00 °C.
boiling point : 263.00 °C. @ 760.00 mm Hg
acid value : 2.00  max.  KOH/g
vapor pressure :0.01330 mm/Hg @ 20.00 °C.
flash point : 208.00  °F.  TCC  ( 97.78 °C. )
logP (o/w) : 6.14
safety :
most important hazard(s) :None - None found.
  S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
Oral Toxicity(LD50) : 
  Oral-Rat    >5000.00  mg/kg

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

Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavor and fragrance agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :8.40 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :2.00 (μg/capita/day)
Structure Class :I
 
recommendation for linalyl benzoate fragrance usage levels up to :
  8.0000 % in the fragrance concentrate.
recommendation for linalyl benzoate flavor usage levels up to :
  2.0000 ppm in the flavor.
safety references :
European Food Safety Athority(efsa) :Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :2
 
 
 
 
3,7-dimethylocta-1,6-dien-3-yl benzoate
(EINECS) number :204-796-2
RTECS :DH3300000 for cas# 126-64-7
chemidplus :000126647
EPA Substance Registry Services :126-64-7
dtp/nci :71926
references :
 
3,7-dimethylocta-1,6-dien-3-yl benzoate
fl. number :09.771
jecfa number :859
NIST Chemistry WebBook :3809496410
pubchem :173419
Cosmetics :
Cosmetic uses : perfuming agents
other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
RIFM :listed
FMA :listed
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
 benzoic acid linalool ester
 benzoic acid linalyl ester
1,5-dimethyl-1-vinyl hex-4-enyl benzoate
3,7-dimethyl-1,6-octadien-3-yl benzoate
3,7-dimethylocta-1,6-dien-3-yl benzoate
 linalool benzoate
soluble in :
 alcohol
insoluble in :
 water
stability :
 shampoo
 soap
potential blenders :    note
 amyl cyclopentenoneCS
isoamyl salicylateFL/FR
 bergamot acetoacetateFR
 bergamot mint oilFR
beta-bisabololFL/FR
 boronia butenalFR
isobutyl benzyl carbinolFL/FR
 butyl tiglateFL/FR
 carrot seed oil spainFR
 chamomile isobutyrateFR
laevo-citronellyl acetateFL/FR
 citronellyl ethoxalateFR
 citronellyl formateFL/FR
 citronellyl oxyacetaldehydeFL/FR
 cumin carbinolFR
 cuminyl acetateFL/FR
 cyclamen homoaldehydeFR
 cyclohexyl propanolFR
 cyperus root oilFR
2-decalinolFR
2-decalinyl acetateFR
(Z)-4-decen-1-alFL/FR
 dihydromyrcenyl acetateFR
2,4-dimethyl-3-cyclohexene-1-methanolFR
 ethyl linaloolFR
 ethyl linalyl acetalFR
 ethyl ortho-anisateFL/FR
 farneseneFL/FR
(E,E)-farnesolFL/FR
 floral butanalFR
 floral pyranolFR
 green methanoindeneFR
 hawthorn ethanolFR
 heptyl formateFL/FR
 herbal pyranFR
 jasimiaFR
 jasmin lactoneFL/FR
para-jasmoneFR
 karo karounde absoluteFR
 lavandin oilFL/FR
 lavender absoluteFL/FR
 lavender flower oil lithuaniaFL/FR
 lavender oil franceFL/FR
 lavender oil greeceFL/FR
 lavender stem oil lithuaniaFR
 leerallFR
 lilyallFR
 lilyall / methyl anthranilate schiff's baseFR
 linalyl acetateFL/FR
dextro-linalyl acetateFL/FR
laevo-linalyl acetateFL/FR
 linalyl butyrateFL/FR
 linalyl formateFL/FR
 linalyl isobutyrateFL/FR
 linalyl isovalerateFL/FR
 linalyl propionateFL/FR
 magnolia cyclohexanolFR
 methoxycitronellalFR
2-methyl undecanalFL/FR
alpha-methylene citronellalFR
 muguet butanalFR
 muguet butanolFR
 muguet carboxaldehydeFR
 muguet ethanolFR
 muguet nitrileFR
 muguet propanolFR
 muguet shiseolFL/FR
 muguet undecadienalFR
 myrcenyl acetateFL/FR
 myrmac aldehydeFR
 myrtle oilFL/FR
 nerolidyl isobutyrateFR
 neryl isovalerateFL/FR
 ocimen-1-yl acetateFR
(Z)-beta-ocimeneFL/FR
3-octyl acetateFL/FR
 phenyl glycol diacetateFR
isophytolFL/FR
 prenyl salicylateFL/FR
isopulegyl formateFL/FR
 terpineol acetateFR
 terpinyl isobutyrateFL/FR
alpha-terpinyl methyl etherFL/FR
 tetrahydrolinalyl acetateFR
 tuberolideFR
 tuberose acetateFR
potential uses :
 bergamot
 broom genet genista
 erica
 fixer
 floral
 gardenia
 gorse
 heather
 jasmin
 lily
 oriental
 outdoors fresh outdoors
 tuberose tubereuse
 tweed
 ylang ylang cananga
natural occurrence in :    note
 tuberose oils S
 ylang ylang oil S

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