butyric acid 107-92-6

butyric acid

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IUPAC name :

butanoic acid

InChI :

InChI=1/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)

InChIKey :

FERIUCNNQQJTOY-UHFFFAOYAP

SMILES :

CCCC(=O)O

cas number :	107-92-6
(EINECS) number :	203-532-3
eu annex :	607-135-00-x
beilstein number :	0906770
fema number :	2221
coe number :	5
jecfa number :	87
fl. number :	08.005
molar refractivity :	22.14 ± 0.3 cm3
parachor :	213.0 ± 4.0 cm3
index of refraction :	1.411 ± 0.02
surface tension :	32.5 ± 3.0 dyne/cm
density :	0.987 ± 0.06 g/cm3
polarizability :	8.77 ± 0.5 10-24cm3
XlogP :	0.70
XlogP3 :	0.80
molecular weight :	88.1051200 (IUPAC)
formula :	C4 H8 O2
BioActivity Analysis :	74110
NMR Predictor :	Predict

export tariff code :

2915.60.0000

fda reg :

182.60

Suppliers :

Advanced Biotech :

butyric acid
98% min. natural

Berje :

N-Butyric Acid

Berje :

N-Butyric Acid
Natural

Cargill - Alfrebro :

BUTYRIC ACID
natural, Kosher

Citrus and Allied Essences :

butyric acid
FCC (natural)

Elan :

butyric acid
(natural), Kosher

butyric acid
natural

BUTYRIC ACID
Odor: Persistent, penetrating, rancid, butter-like

Frutarom :

BUTYRIC ACID
≥99.00%, NI, Kosher
Odor: Butter, Cheese, Dairy, Rancid, Sharp

Frutarom :

NATURAL BUTYRIC ACID
≥99.00%, natural, Kosher
Odor: Butter, Cheese, Dairy, Rancid, Sharp

IFF :

Butyric Acid
≥99.00%, natural, Kosher
Odor: penetrating, unpleasant odor

butyric acid
98% min. natural kosher
Odor: acidic, caprylic, cheesy note.
Flavor: sour, acidic, fruity, cheesy and buttery note.

Moellhausen :

butyric acid
99% min. nature identical kosher
Odor: acidic, caprylic, cheesy note.
Flavor: sour, acidic, fruity, cheesy and buttery note.

Mooreganics :

Butyric Acid
Natural (Organic Compliant)

butyric acid
natural

Butyric acid
naturel

Butyric acid
≥99%, Kosher

Sigma-Aldrich-SAFC :

Butyric acid
≥99%, natural, FCC, Kosher, FG

Vigon :

Butyric Acid
Natural
Odor: STRONG, RANCID, BUTTER-LIKE

Vigon :

Butyric Acid
FCC
Odor: STRONG, RANCID, BUTTER-LIKE

organoleptics :

odor type :

cheesy

odor strength :

high ,
recommend smelling in a 1.00 % solution or less

odor description :¹
at 1.00 % in dipropylene glycol.

sharp acetic cheese butter fruit

odor sample from :

Berje Inc.

substantivity :

24 Hour(s)

properties :

appearence :

colorless clear liquid

assay :

99.00 to 100.00 % sum of isomers

Food Chemicals Codex Listed :

Yes

specific gravity :

0.85200 to 0.95600 @ 25.00 °C.

pounds per gallon - calc. :

7.089 to 7.955

refractive index :

1.39700 to 1.39900 @ 20.00 °C.

melting point :

-7.00 to -5.00 °C. @ 760.00 mm Hg

boiling point :

162.00 to 164.00 °C. @ 760.00 mm Hg

boiling point :

90.00 to 91.00 °C. @ 50.00 mm Hg

vapor pressure :

1.65000 mm/Hg @ 25.00 °C.

vapor density :

3.04 ( Air = 1 )

flash point :

167.00 °F. TCC ( 75.00 °C. )

logP (o/w) :

0.79

shelf life :

36.00 month(s) or longer if stored properly.

storage :

store in cool, dry place in tightly sealed containers, protected from heat and light.

safety :

most important hazard(s) :

C - Corrosive.

R 34 - Causes burns.
S 01/02 - Keep locked up and out of the reach of children.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.
S 45 - In case of accident or if you feel unwell seek medical advice immediately.

Oral Toxicity(LD50) :

Oral-Rat    2000.00  mg/kg

intravenous-Mouse    800.00  mg/kg
Acta Pharmacologica et Toxicologica. Vol. 18, Pg. 141, 1961.

Intraperitoneal-Mouse    3180.00  mg/kg
Journal of Pharmacy and Pharmacology. Vol. 21, Pg. 85, 1969.

Dermal Toxicity(LD50) :

Skin-Rabbit 530.00 ul/kg
Union Carbide Data Sheet. Vol. 4/10/1968

Subcutaneous-Mouse 3180.00 mg/kg
Journal of Pharmacy and Pharmacology. Vol. 21, Pg. 85, 1969.

Inhalation Toxicity(LC50) :

Not determined

safety in use :

recommendation for butyric acid usage levels up to :

not for fragrance use.

recommendation for butyric acid usage levels up to :

270.0000 ppm in the flavor.

safety references :

EPI System :

view

IUCLID :

view

ClinicalTrials.gov :

Daily Med :

NIOSH International Chemical Safety Cards :

NLM Hazardous Substances Data Bank :

Chemical Carcinogenesis Research Information System :

AIDS Citations :

Cancer Citations :

Toxicology Citations :

Env. Mutagen Info. Center :

NLM Developmental and Reproductive Toxicity :

National Toxicology Program :

Canada Domestic Sub. List :

Yes

EPA Chem. Sub. Inventory :

Yes

WISER :

UN 2820

WGK Germany :

butanoic acid

(EINECS) number :

RTECS :

chemidplus :

EPA Substance Registry Services :

107-92-6

dtp/nci :

8415

references :

butanoic acid

fl. number :

08.005

jecfa number :

NIST Chemistry WebBook :

2589720300

pubchem :

151005

Cosmetics :

Cosmetic uses :

masking agents

other :

reference :

Luebke, William tgsc, (1995)¹

CosIng :

cosmetic data

VCF-Online:

VCF Volatile Compounds in Food

FDA Everything Added to Food in the United States (EAFUS)

View

synonyms :
	butanic acid
	butanoic acid
N-	butanoic acid
1-	butyric acid
N-	butyric acid
	ethyl acetic acid
1-	propane carboxylic acid
	propyl formic acid
soluble in :
	alcohol
	fixed oils
	propylene glycol
	water, 60000 mg/L @ 25C
insoluble in :
	paraffin oil
(odor and/or flavor) blends with :
	acetoin
	acetoin acetate
	acetoin butyrate
	acetyl butyryl
	acetyl isobutyryl
	acetyl isovaleryl
	acetyl nonyryl
	acetyl propionyl
	allyl cyclohexyl hexanoate
	benzyl lactate
	benzyl octanoate
	butyl butyryl lactate
iso	butyl methyl ketone
	butyl octanoate
	butyl undecylenate
iso	butyl undecylenate
iso	butyric acid
	butyroin
	cinnamyl benzoate
	coconut absolute
	coconut decanone
	coffee furanone
	cyclohexyl acetic acid
	cyclohexyl carboxylic acid
	dairy lactone
delta-	decalactone
gamma-	decalactone
6-	decenoic acid
9-	decenoic acid
	decyl propionate
	diacetyl
	diacetyl trimer
5,5-	dibutyl dihydrofuran-2(3H)-one
alpha,alpha-	dimethyl anisyl acetone
	dimethyl sulfoxide
2,4-	dimethyl-2-pentenoic acid
2,5-	dithiahexane
delta-	dodecalactone
2-	ethyl butyric acid
	ethyl cyclohexyl carboxylate
	ethyl lactate
2-	ethyl pyrazine
	ethyl undecanoate
	filbert hexenone
	glyceryl tributyrate
(E,E)-2,4-	heptadien-1-ol
	heptanal 2,3-butane diol acetal
2,3-	heptane dione
3-	heptanone
4-	heptanone
(Z)-4-	hepten-1-al
(E)-2-	hepten-1-yl acetate
3,4-	hexane dione
	hexanoic acid
(E)-2-	hexen-1-al
(Z)-3-	hexen-1-yl butyrate
(Z)-3-	hexenoic acid
	jasmin pyranone
	linalyl butyrate
	methyl (Z)-5-octenoate
2-	methyl 3-(methyl thio) furan 10% in triacetin
	methyl 4-(methyl thio) butyrate
	methyl 4-methyl valerate
3-	methyl butyl 2-furyl butyrate
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) hexanal
3-(	methyl thio) methyl thiophene
S-(	methyl thio) propionate
	methyl thiol isovalerate
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-4-pentenoic acid
gamma-	nonalactone
	nonanoic acid
2-	nonanol
	nutty quinoxaline
delta-	octalactone
gamma-	octalactone
	octanoic acid
(Z)-3-	octen-1-ol
1-	octen-3-yl butyrate
(E)-2-	octenoic acid
	octyl heptanoate
(E)-2-	pentenoic acid
4-	pentenoic acid
	petal pyranone
	prenyl hexanoate
	prenyl isobutyrate
	sodium 4-methyl-2-oxovalerate
	sorbyl butyrate
	tagete oil egypt
	tagete oil rwanda
delta-	tetradecalactone
3-	tetrahydrothiophenone
2-	tridecanone
(E,E)-2,4-	undecadien-1-al
gamma-	undecalactone
	undecanoic acid
	valeraldehyde diethyl acetal
iso	valeraldehyde diethyl acetal
	vanillic acid
	waxy lactone
(odor and/or flavor) used in :
	apple
	banana
	barley
	beef roasted beef
	beer
	bramble arctic bramble
	bread white bread
	butter
	butterscotch
	castoreum
	cheese blue cheese
	cheese cheddar cheese
	cheese swiss cheese
	cherry
	chocolate cocoa
	cider
	citronella
	cloudberry bakeapple
	coffee
	currant
	eucalyptus
	fish
	grape
	honey miel
	hops houblon
	mace
	melon watermelon muskmelon cantaloupe
	mushroom
	natural
	nut
	nut peanut
	nut pistachio
	nut walnut
	nutmeg
	onion
	papaya
	passion fruit
	peach
	pear
	pineapple
	plum brandy
	sauerkraut
	sherry
	soybean
	tea green tea
	tomato
	trassi
	valerian
	yogurt
natural occurrence in :
	anise seed
	apple
	arctic bramble
	banana
	barley roasted barley
	beef heated beef
	beer
	bergamot plant wild
	blackberry
	brandy grape brandy
	brandy pear brandy
	brandy plum brandy
	bread
	bread white bread
	butter
	cajuput
	cheese bleu cheese
	cheese cheddar cheese
	cheese swiss cheese
	cherry
	cider
	citronella ceylon
	cloudberry
	cocoa
	coffee
	coffee roasted coffee
	currant
	dairy products
	eucalyptus globulus
	fish
	fish
	fruits
	grape
	honey
	hop
	lavender
	meat
	milk
	morello
	mushroom
	niaouli
	nutmeg
	nuts
	onion roasted onion
data page	osmanthus absolute @ trace%
	papaya
	passion fruit
	peach
	peanut roasted peanut
	pear
	pennyroyal
	pork heated pork
	potato chip
	raspberry fruit
	rum
	sauerkraut
	sherry
	soya bean
	strawberry
	tea
	tomato
	trassi cooked trassi
	valerian
	vegetables
	whiskey
	wine
	yogurt

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