valeric acid
 
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IUPAC name :pentanoic acid
InChI :InChI=1/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)
InChIKey :NQPDZGIKBAWPEJ-UHFFFAOYAU
SMILES :CCCCC(=O)O
(EINECS) number :203-677-2
eu annex :607-143-00-3
cas number :109-52-4
beilstein number :0969454
fema number :3101
coe number :7
jecfa number :90
fl. number :08.007
molar refractivity :26.77 ± 0.3 cm3
parachor :252.8 ± 4.0 cm3
index of refraction :1.420 ± 0.02
surface tension :32.7 ± 3.0 dyne/cm
density :0.966 ± 0.06 g/cm3
polarizability :10.61 ± 0.5 10-24cm3
xlogp : 1.30
molecular weight : 102.1317000
formula :C5 H10 O2
BioActivity Analysis :48414847
 
 
fda reg :172.515
173.315
h. number :2915.60.0000
organoleptics : 
odor type :cheesy
odor strength :high ,
recommend smelling in a 1.00 % solution or less
odor description :
at 1.00 % in propylene glycol.  
sickening putrid acidic sweaty rancid
taste description³ :at 100.00 ppm.  
Acidic, dairy-like with milky and cheese nuances
properties : 
appearence :colorless to pale yellow clear liquid
assay : 99.00 - 100.00 %   
Food Chemicals Codex Listed :Yes
specific gravity :0.93500 - 0.94000 @ 25.00 °C.
pounds per gallon - calc. : 7.780 to 7.822
refractive index :1.40500 - 1.41400 @ 25.00 °C.
melting point : -35.00 - -34.00 °C. @ 760.00 mm Hg
boiling point : 184.00 - 186.00 °C. @ 760.00 mm Hg
boiling point : 112.00 - 113.00 °C. @ 50.00 mm Hg
logp : 1.39
safety : 
Oral Toxicity(LD50) : Oral-Mouse    600.00  mg/kg    
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 192.00  °F.  TCC  ( 88.89 °C. )
  
recommendation for valeric acid usage levels up to :
 not for fragrance use.
  
recommendation for valeric acid usage levels up to :
  100.0000 ppm in the flavor.
  
safety links : 
(EINECS) number :203-677-2
rtecs :YV6100000 for 109-52-4
chemidplus :000109524
epa-srs :109-52-4
dtp/nci :406833
  
other : 
 
references : 
jecfa number :90
fl. number :08.007
pubchem :151105
  
reference : Mosciano, Gerard P&F 19, No. 2, 55, (1994)³
synonyms :
 butane carboxylic acid
1-butane carboxylic acid
 pentanoic acid
N-pentanoic acid
 propyl acetic acid
 valerianic acid
 valeric acid
N-valeric acid
soluble in :
 alcohol
 ether
 water, 24000 mg/L @ 25C
insoluble in :
 water
(odor and/or flavor) blends with :
 acetic acid
 acetoin
 acetoin butyrate
 acetyl butyryl
 acetyl nonyryl
 acetyl propionyl
 allyl cyclohexyl acetate
 allyl cyclohexyl hexanoate
 allyl propionate
isoamyl 3-(2-furan) propionate
isoamyl heptanoate
 amyl valerate
 benzyl octanoate
 butyl butyryl lactate
isobutyl methyl ketone
isobutyl undecylenate
 butyric acid
isobutyric acid
 clove bud concrete
 coconut absolute
 coconut decanone
 cumin seed oil
 cyclohexyl acetic acid
 cyclohexyl carboxylic acid
 dairy lactone
delta-decalactone
 decanoic acid
9-decenoic acid
 decyl propionate
 dihydroactinidolide
 dimethyl sulfoxide
2,4-dimethyl-2-pentenoic acid
2,5-dithiahexane
 ethyl 3-mercaptobutyrate
 ethyl 3-oxohexanoate
2-ethyl butyric acid
 ethyl cyclohexyl carboxylate
 ethyl methyl mercaptopropionate
 filbert hexenone
 furfuryl isovalerate
 furfuryl valerate
 glyceryl tributyrate
(E,E)-2,4-heptadien-1-ol
 heptanal 2,3-butane diol acetal
2,3-heptane dione
 heptanoic acid
3-heptanone
4-heptanone
(E)-2-hepten-1-yl acetate
 heptyl acetate
 hexanal
 hexanoic acid
(E)-2-hexen-1-al
(E)-2-hexen-1-yl butyrate
(Z)-3-hexenoic acid
 hexyl isovalerate
3-mercapto-3-methyl butyl formate
 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 acetate
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
12-methyl tridecanal
2-methyl valeric acid
3-methyl valeric acid
3-methyl-2-cyclopenten-1-one
3-(5-methyl-2-furyl) butanal
2-methyl-2-hexenoic acid
2-methyl-2-pentenoic acid
2-methyl-4-pentenoic acid
 neryl isovalerate
 nonanoic acid
2-nonanol
 nutty quinoxaline
delta-octalactone
gamma-octalactone
 octanoic acid
(Z)-3-octen-1-ol
(E)-2-octenoic acid
 octyl heptanoate
(E)-2-pentenoic acid
4-pentenoic acid
 petal pyranone
 phenethyl hexanoate
 phenoxyacetic acid
 pineapple hydroxyhexanoate
 prenyl hexanoate
 propionic acid
 propyl butyrate
 propyl heptanoate
 propyl isobutyrate
 pyruvic acid
 sorbyl butyrate
 terpinyl butyrate
delta-tetradecalactone
(±)-1,2,5,6-tetrahydrocuminic acid
 thiamine hydrochloride
2-tridecanone
 trimethyl amine
gamma-undecalactone
 undecanoic acid
 valeraldehyde diethyl acetal
isovaleraldehyde diethyl acetal
 valerian absolute
 vanillic acid
(odor and/or flavor) used in :
 apple
 castoreum
 cheese
 milk
 petitgrain lemon petitgrain
 pineapple
natural occurrence in :
apple juice
bergamot oil wild
boronia anemonifolia
champaca
cheese cheddar cheese
coffee
milk
petitgrain lemon petitgrain
pineapple
raspberry fruit
rum
strawberry
yogurt



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