nonyl acetate
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IUPAC name :nonyl acetate
InChI :InChI=1/C11H22O2/c1-3-4-5-6-7-8-9-10-13-11(2)12/h3-10H2,1-2H3
InChIKey :GJQIMXVRFNLMTB-UHFFFAOYAM
SMILES :CCCCCCCCCOC(=O)C
cas number :143-13-5
(EINECS) number :205-585-8
fema number :2788
coe number :198
jecfa number :131
fl. number :09.008
molar refractivity :54.78 ± 0.3 cm3
parachor :494.5 ± 4.0 cm3
index of refraction :1.426 ± 0.02
surface tension :28.7 ± 3.0 dyne/cm
density :0.872 ± 0.06 g/cm3
polarizability :21.71 ± 0.5 10-24cm3
XlogP : 4.40
molecular weight : 186.2911800 (IUPAC)
formula :C11 H22 O2
NMR Predictor :Predict
 
 
export tariff code :2915.39.9050
fda reg :172.515
Suppliers :
Advanced Biotech :nonyl acetate
98% min. natural
Berje :Acetate C-9
Fleurchem :nonyl acetate
Penta :nonyl acetate
Sigma-Aldrich-SAFC :Nonyl acetate
FCC
Odor:  gardenia; soapy; fruity
Vigon :Acetate C-9 Nonyl Acetate
FCC
Odor:  POWERFUL, FRUITY, FLORAL
organoleptics :
odor type :waxy
odor strength :medium
odor description :¹
at 100.00 %.  		waxy clean green tropical fruity
odor sample from :Givaudan Corporation
substantivity :12 hour(s) at 100.00 %
properties :
appearence :colorless clear liquid
assay : 97.00 to 100.00 %   
Food Chemicals Codex Listed :Yes
specific gravity :0.86200 to 0.87000 @ 25.00 °C.
pounds per gallon - calc. : 7.173 to 7.239
specific gravity :0.86300 to 0.87100 @ 20.00 °C.
pounds per gallon - calc. : 7.189 to 7.256
refractive index :1.42100 to 1.42500 @ 20.00 °C.
boiling point : 212.00 °C. @ 760.00 mm Hg
acid value : 1.00  max.  KOH/g
vapor pressure :0.09500 mm/Hg @ 25.00 °C.
flash point :> 212.00  °F.  TCC  ( > 100.00 °C. )
logP (o/w) : 4.43
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.
Human experience : 2 % solution: no irritation or sensitization.
Oral Toxicity(LD50) :
  Oral-Rat    >5000.00  mg/kg
Food and Cosmetics Toxicology. Vol. 11, Pg. 95, 1973.

Dermal Toxicity(LD50) :
  Skin-Rabbit  >5000.00  mg/kg
Food and Cosmetics Toxicology. Vol. 11, Pg. 95, 1973.

Inhalation Toxicity(LC50) :
  Not determined
 
safety in use :
Maximised Survey-derived Daily Intakes (MSDI-EU) :6.60 (μg/capita/day)
 
recommendation for nonyl acetate usage levels up to :
  10.0000 % in the fragrance concentrate.
recommendation for nonyl acetate usage levels up to :
  20.0000 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
 
 
 
 nonyl acetate
(EINECS) number :205-585-8
RTECS :AJ1382500 for 143-13-5
chemidplus :000143135
EPA/NOAA CAMEO :hazardous materials
EPA Substance Registry Services :143-13-5
dtp/nci :82356
references :
 nonyl acetate
fl. number :09.008
jecfa number :131
NIST Chemistry WebBook :4250651692
pubchem :152069
Cosmetics :
Cosmetic uses : emollients
perfuming agents
other :
reference : Luebke, William tgsc, (1983)¹
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
synonyms :
 acetate C-9
 acetic acid N-nonyl ester
 acetic acid nonyl ester
1-acetoxynonane
 nonanol acetate
 nonanyl acetate
N-nonanyl acetate
1-nonyl acetate
N-nonyl acetate
 nonyl alcohol acetate
 nonyl ethanoate
N-nonyl ethanoate
 pelargonyl acetate
soluble in :
 alcohol
 dipropylene glycol
insoluble in :
 water
stability :
 bath foam
 cream
 detergent
 hair spray
 lotion
 non-discoloring in most media
(odor and/or flavor) blends with :
 allyl cyclohexyl acetate
 allyl heptanoate
 allyl nonanoate
 allyl octanoate
isoamyl benzoate
isoamyl isobutyrate
 citrus carbaldehyde / methyl anthranilate schiff's base
 cyclohexyl propionate
 decanal diethyl acetal
3-decanone
(Z)-4-decen-1-ol
9-decen-1-ol
9-decenoic acid
 decyl acetate
 decyl butyrate
 dimethyl octanyl acetate
(E,E)-2,4-dodecadien-1-ol
 dodecanal
 ethyl (E,Z)-2,4-decadienoate
 ethyl (E)-2-decenoate
 ethyl (E)-4-decenoate
 ethyl 2-octenoate
 ethyl decanoate
 ethyl palmitate
 ethyl undecylenate
 ethylene dodecanoate
1-furfuryl pyrrole
 geranyl acetate
(E)-geranyl acetone
 geranyl hexanoate
 geranyl oxyacetaldehyde
 grape butyrate
3-heptyl dihydro-5-methyl-2(3H)-furanone
 heptyl formate
3-hexanone
(Z)-3-hexen-1-yl 2-methyl-2-pentenoate
(E)-2-hexen-1-yl acetate
(Z)-3-hexen-1-yl formate
(Z)-3-hexen-1-yl hexanoate
(E)-2-hexen-1-yl isovalerate
(Z)-3-hexen-1-yl propionate
 hexyl 2-furoate
 hexyl 2-methyl butyrate
 hexyl octanoate
 hexyl phenyl acetate
 hydroxycitronellal
 hydroxycitronellal dimethyl acetal
 jasmin absolute
 jasmin cyclopentanol
 lauryl acetate
 lily pentanal
 mango thiol
 melon heptenal
 melon nonenoate
 methyl 2-(methyl thio) butyrate
 methyl 2-undecynoate
 methyl 2,4-decadienoate
2-methyl butyl 2-methyl butyrate
 methyl butyl phenyl acetate
 methyl citronellate
(E)-methyl geranate
2-methyl heptanoic acid
 methyl octanoate
2-methyl undecanal dimethyl acetal
 methyl undecanoate
 neryl butyrate
(E,Z)-3,6-nonadien-1-yl acetate
3,6-nonadien-1-yl acetate
2-nonanol
(E)-2-nonen-1-ol
(Z)-3-nonen-1-ol
(Z)-6-nonen-1-ol
(E)-2-nonen-1-yl acetate
beta-ocimene
 octanol
(E)-2-octen-1-al
(E)-2-octen-1-yl acetate
(E)-2-octen-1-yl butyrate
 octyl 2-methyl butyrate
 octyl butyrate
 octyl isobutyrate
 phenethyl octanoate
 phenyl acetaldehyde ethylene glycol acetal
 phytyl acetate
 propyl hexanoate
 rose butanoate
(E)-2-tetradecen-1-al
(E)-2-tridecen-1-yl acetate
 tropical oxathiane
2-undecanol
2-undecanone
 undecyl acetate
(odor and/or flavor) used in :
 apple
 apricot
 beer
 cloth clean cloths
 coconut
 emollients
 fruit
 galbanum
 gardenia
 green
 lavender
 melon watermelon muskmelon cantaloupe
 mushroom
 orange blossom fleur d'oranger
 peach
 petunia
 rose
 waxy
natural occurrence in :
apple
data pagebergamot oil @ 0.004-0.053%
data pageblood orange oil (citrus sinensis l. var. sanguinello) italy @ 0.006%
data pageblood orange oil (citrus sinensis l. var. tarocco) italy @ 0.003%
data pageblood orange oil italy @ 0.004%
citrus fruits
grape
data pageheracleum paphlagonicum czeczott fruit oil turkey @ <0.10%
data pagelime oil expressed florida @ 0.1%
melon
data pagemikan peel oil @ 0.01%
data pageorange peel oil sweet c.p. blond italy @ 0.004%
data pageorange peel oil sweet c.p. blond italy @ 0.005%
data pageorange peel oil sweet c.p. blond italy @ 0.005%
data pageorange peel oil sweet c.p. blond italy @ 0.006%
data pageorange peel oil sweet c.p. blond italy @ 0.008%
data pagerue flower oil colombia @ 0.16%
data pagerue oil china @ 0.57%



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