nonanoic acid
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IUPAC name :nonanoic acid
InChI :InChI=1/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)
InChIKey :FBUKVWPVBMHYJY-UHFFFAOYAF
SMILES :CCCCCCCCC(=O)O
cas number :112-05-0
(EINECS) number :203-931-2
eu annex :607-197-00-8
beilstein number :1752351
fema number :2784
coe number :29
jecfa number :102
fl. number :08.029
molar refractivity :45.30 ± 0.3 cm3
parachor :412.0 ± 4.0 cm3
index of refraction :1.440 ± 0.02
surface tension :33.1 ± 3.0 dyne/cm
density :0.921 ± 0.06 g/cm3
polarizability :17.96 ± 0.5 10-24cm3
XlogP : 3.60
molecular weight : 158.2380200 (IUPAC)
formula :C9 H18 O2
BioActivity Analysis :109786
pherobase floral:view
NMR Predictor :Predict
 
 
export tariff code :2915.90.00.14
fda reg :172.515
173.315
178.1010
Suppliers :
Advanced Biotech :nonanoic acid
92% min. natural
Odor:  Faint tallow
Berje :Pelargonic Acid
Frutarom :NONANOIC ACID
≥96.00%, NI, Kosher
Odor:  Cheese, Dairy, Fatty, Waxy
Suggested Uses: Alcoholic Beverages, Bakery, Cheese, Dairy Products, Savoury
Penta :nonanoic acid
SAFC Global® :Nonanoic acid
≥96%, Kosher, FG
Odor:  cheese; waxy
organoleptics :
odor type :waxy
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description:
at 10.00 % in dipropylene glycol.  		waxy dirty cheese cultured dairy
odor description:
Waxy, dirty and cheesy with a cultured dairy nuance
Mosciano, Gerard P&F 14, No. 6, 47, (1989)
taste description:
at 10.00 ppm.  		Fatty, waxy and cheesy with a mild sweet creamy background
Mosciano, Gerard P&F 14, No. 6, 47, (1989)
properties :
appearence :colorless to pale yellow clear oily liquid
assay : 96.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.90100 to 0.90600 @ 25.00 °C.
pounds per gallon - calc. : 7.497 to 7.539
refractive index :1.43100 to 1.43500 @ 20.00 °C.
melting point : 12.00 to 14.00 °C. @ 760.00 mm Hg
boiling point : 254.00 to 256.00 °C. @ 760.00 mm Hg
vapor pressure :0.00165 mm/Hg @ 25.00 °C.
vapor density :5.4 ( Air = 1 )
flash point : 212.00  °F.  TCC  ( 100.00 °C. )
logP (o/w) : 3.42
safety :
most important hazard(s) :C - Corrosive.
  R 34 - Causes burns.
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.
S 46 - If swallowed, seek medical advice immediately and show this container or label.
Human experience : 12 % solution: no irritation or sensitization.
Oral Toxicity(LD50) : 
  Oral-Rat    >5000.00  mg/kg
Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. Vol. 24, Pg. 421, 1999

Oral-Mouse    >5000.00  mg/kg
Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. Vol. 24, Pg. 421, 1999

intravenous-Mouse    224.00  mg/kg
Acta Pharmacologica et Toxicologica. Vol. 18, Pg. 141, 1961.

Dermal Toxicity(LD50) : 
  Skin-Rat  >2000.00  mg/kg
Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. Vol. 24, Pg. 421, 1999

Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :cosmetic and flavor agents
 
recommendation for nonanoic acid fragrance usage levels up to :
 not for fragrance use.
recommendation for nonanoic acid flavor usage levels up to :
  10.0000 ppm in the flavor.
safety references :
EPI System :view
NLM Hazardous Substances Data Bank :search
Cancer Citations :Search
Toxicology Citations :Search
Env. Mutagen Info. Center :Search
NLM Developmental and Reproductive Toxicity :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
WISER :UN 3265
 
WGK Germany :1
 
 
 
 
nonanoic acid
(EINECS) number :203-931-2
RTECS :RA6650000 for cas# 112-05-0
chemidplus :000112050
EPA Substance Registry Services :112-05-0
dtp/nci :62787
references :
 
nonanoic acid
fl. number :08.029
jecfa number :102
NIST Chemistry WebBook :861413668
pubchem :151286
Flavornet :112-05-0
Cosmetics :
Cosmetic uses : perfuming agents
solvents
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
Household Products : Search
synonyms :
 nonanoic acid
N-nonanoic acid
 nonoic acid
N-nonoic acid
 nonylic acid
N-nonylic acid
1-octane carboxylic acid
 pelargic acid
 pelargonic acid
soluble in :
 alcohol
 dipropylene glycol
 water, 284 mg/L @ 20C
insoluble in :
 water
potential blenders :    note
 acetoinFL/FR
 acetoin butyrateFL
 acetyl nonyrylFL/FR
 acetyl propionylFL/FR
 butyl butyryl lactateFL/FR
isobutyl methyl ketoneFL/FR
 butyric acidFL
isobutyric acidFL
 coconut decanoneFR
 cyclohexyl acetic acidFL
 cyclohexyl carboxylic acidFL/FR
 dairy lactoneFL/FR
delta-decalactoneFL/FR
 dihydrojasmone lactoneFL/FR
 dimethyl sulfoxideFL
2,4-dimethyl-2-pentenoic acidFL
2,5-dithiahexaneFL
2-ethyl butyric acidFL/FR
 ethyl cyclohexyl carboxylateFL
 filbert hexenoneFL/FR
(E,E)-2,4-heptadien-1-olFL
 heptanal 2,3-butane diol acetalFL
2,3-heptane dioneFL/FR
4-heptanoneFL/FR
 hexanoic acidFL/FR
(E)-2-hexen-1-alFL/FR
(Z)-3-hexenoic acidFL
 methyl (Z)-5-octenoateFL
2-methyl 3-(methyl thio) furan 10% in triacetinFL
 methyl 4-(methyl thio) butyrateFL
 methyl 4-methyl valerateFL
2-methyl butyl isovalerateFL/FR
2-methyl butyric acidFL/FR
3-methyl crotonic acidFL
2-methyl heptanoic acidFL/FR
2-methyl hexanoic acidFL/FR
5-methyl hexanoic acidFL
4-methyl octanoic acidFL
4-methyl pentanoic acidFL
S-(methyl thio) butyrateFL
3-(methyl thio) methyl thiopheneFL
S-(methyl thio) propionateFL
 methyl thiol isovalerateFL
2-methyl valeric acidFL/FR
3-methyl valeric acidFL
2-methyl-2-hexenoic acidFL
2-methyl-4-pentenoic acidFL
2-nonanolFL/FR
 nutty quinoxalineFL/FR
delta-octalactoneFL/FR
gamma-octalactoneFL/FR
 octanoic acidFL/FR
(E)-2-octenoic acidFL
 octyl 2-furoateFL
(E)-2-pentenoic acidFL
4-pentenoic acidFL
 prenyl hexanoateFL/FR
 sorbyl butyrateFL/FR
delta-tetradecalactoneFL/FR
2-tridecanoneFL/FR
 undecanoic acidFL/FR
 vanillic acidFL/FR
potential uses :
 cheese
 cream
 dairy
 geranium
 hops houblon
 oakmoss mousse de chene
 orris iris
 solvents
natural occurrence in :    note
data pageambrette seed concrete @ 0.10% S
 apple  
 banana  
data pagechamomile oil @ 0.04%  
 cheese  
data pagecistus oil @ 1.6% S
 citrus fruits  
data pagedialium guineense wild.fruit oil france @ 11.40% S
 geranium  
data pagehelichrysum arenarium (l.) moench oil hungary @ 6.90% S
 hop S
 lavender  
 litsea cubeba S
data pagemalpighia glabra l. fruit oil @ 0.20% S
 oakmoss S
 orris  
 rose  
data pagestar fruit oil cuba @ 0.10% S
data pageulva rigida oil greece @ 1.60% S
data pagewitch hazel leaf oil @ 0.11% S

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