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
(EINECS) number :203-931-2
eu annex :607-197-00-8
cas number :112-05-0
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
formula :C9 H18 O2
BioActivity Analysis :109786
 
 
export tariff code :2915.90.00.14
fda reg :unspecified
 

Suppliers :
Oxford Chemicals Ltd :NONANOIC ACID
≥96.00%, NI, Kosher
Sigma-Aldrich-SAFC :Nonanoic acid
≥96%, Kosher, FG

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

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 : 31.00 to 32.00 °C. @ 760.00 mm Hg
boiling point : 268.00 to 269.00 °C. @ 760.00 mm Hg
logp : 3.42

safety :
most important hazard(s) : C - Corrosive.
Oral Toxicity(LD50) : Oral-Rat    >5.00  gm/kg    
Dermal Toxicity(LD50) : Skin-Rat  >2.00  gm/kg    
flash point ( Deg. F. ) : 212.00  °F.  TCC  ( 100.00 °C. )
recommendation for nonanoic acid usage levels up to :
 not for fragrance use.
recommendation for nonanoic acid usage levels up to :
  10.0000 ppm in the flavor.

safety references :
EPI System :view
 
 
 nonanoic acid
(EINECS) number :203-931-2
RTECS :RA6650000 for 112-05-0
chemidplus :000112050
EPA Substance Registry Services :112-05-0
NLM Chemical Carcinogenesis Research Information System :112-05-0
NLM Developmental and Reproductive Toxicity :112-05-0
NLM Env. Mutagen Info. Center :112-05-0
NLM GENetic TOXicology :112-05-0
dtp/nci :62787

references :
 nonanoic acid
jecfa number :102
fl. number :08.029
pubchem :151286
NIST Chemistry WebBook :861413668

other :
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

(odor and/or flavor) blends with :
 acetoin
 acetoin butyrate
 acetyl nonyryl
 acetyl propionyl
 butyl butyryl lactate
isobutyl methyl ketone
 butyric acid
isobutyric acid
 coconut decanone
 cyclohexyl acetic acid
 cyclohexyl carboxylic acid
 dairy lactone
delta-decalactone
 dihydrojasmone lactone
 dimethyl sulfoxide
2,4-dimethyl-2-pentenoic acid
2,5-dithiahexane
2-ethyl butyric acid
 ethyl cyclohexyl carboxylate
 filbert hexenone
(E,E)-2,4-heptadien-1-ol
 heptanal 2,3-butane diol acetal
2,3-heptane dione
4-heptanone
 hexanoic acid
(E)-2-hexen-1-al
(Z)-3-hexenoic acid
 methyl (Z)-5-octenoate
2-methyl 3-(methyl thio) furan 10% in triacetin
 methyl 4-(methyl thio) butyrate
 methyl 4-methyl valerate
2-methyl butyl isovalerate
2-methyl butyric acid
3-methyl crotonic acid
2-methyl heptanoic acid
2-methyl hexanoic acid
5-methyl hexanoic acid
4-methyl octanoic acid
4-methyl pentanoic acid
S-(methyl thio) butyrate
3-(methyl thio) methyl thiophene
S-(methyl thio) propionate
 methyl thiol isovalerate
2-methyl valeric acid
3-methyl valeric acid
2-methyl-2-hexenoic acid
2-methyl-4-pentenoic acid
2-nonanol
 nutty quinoxaline
delta-octalactone
gamma-octalactone
 octanoic acid
(E)-2-octenoic acid
 octyl 2-furoate
(E)-2-pentenoic acid
4-pentenoic acid
 prenyl hexanoate
 sorbyl butyrate
delta-tetradecalactone
2-tridecanone
 undecanoic acid
 vanillic acid

(odor and/or flavor) used in :
 cheese
 cream
 dairy
 geranium
 hops houblon
 oakmoss mousse de chene
 orris iris

natural occurrence in :
data pageambrette seed concrete @ 0.10%
apple
banana
data pagechamomile oil @ 0.04%
cheese
data pagecistus oil @ 1.6%
citrus fruits
data pagedialium guineense wild.fruit oil france @ 11.40%
geranium
data pagehelichrysum arenarium (l.) moench oil hungary @ 6.90%
hop
lavender
litsea cubeba
data pagemalpighia glabra l. fruit oil @ 0.20%
oakmoss
orris
rose
data pagestar fruit oil cuba @ 0.10%
data pageulva rigida oil greece @ 1.60%
data pagewitch hazel leaf oil @ 0.11%



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