butyraldehyde
Suppliers  organoleptics  properties  safety  references  cosmetics    FEMA Index    Home Page
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :butanal
InChI :InChI=1/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3
InChIKey :ZTQSAGDEMFDKMZ-UHFFFAOYAZ
SMILES :CCCC=O
cas number :123-72-8
(EINECS) number :204-646-6
eu annex :605-006-00-2
beilstein number :0506061
fema number :2219
coe number :91
jecfa number :86
fl. number :05.003
molar refractivity :20.76 ± 0.3 cm3
parachor :200.1 ± 4.0 cm3
index of refraction :1.369 ± 0.02
surface tension :22.5 ± 3.0 dyne/cm
density :0.784 ± 0.06 g/cm3
polarizability :8.23 ± 0.5 10-24cm3
XlogP : 1.20
XlogP3 : 0.90
molecular weight : 72.1057200 (IUPAC)
formula :C4 H8 O
BioActivity Analysis :17389673
NMR Predictor :Predict
 
 
export tariff code :2912.13.0000
fda reg :172.515
175.105
176.170
Suppliers :
Advanced Biotech :butyraldehyde
95% min. natural
Berje :N-Butyraldehyde
Cargill - Alfrebro :n-BUTYRALDEHYDE
natural, Kosher
Fleurchem :butyraldehyde
natural
Frutarom :N-BUTYRALDEHYDE
≥99.00%, NI, Kosher
Odor:  Aldehydic, Fruity, Malty, Pungent
Inoue :BUTANAL
Penta :butyraldehyde
Penta :butyraldehyde
natural
Sigma-Aldrich-SAFC :Butyraldehyde
≥98%, Kosher
Odor:  apple; chocolate; creamy; meaty; ethereal; fruity; pear; vegetable
Sigma-Aldrich-SAFC :Butyraldehyde
≥95%, natural, Kosher
Odor:  apple; chocolate; creamy; meaty; ethereal; fruity; pear; vegetable
organoleptics :
odor type :chocolate
odor strength :high ,
recommend smelling in a 1.00 % solution or less
odor description :¹
at 1.00 % in dipropylene glycol.  		pungent cocoa musty green malty bready
properties :
appearence :colorless clear liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :Yes
specific gravity :0.79700 to 0.80200 @ 25.00 °C.
pounds per gallon - calc. : 6.632 to 6.673
refractive index :1.37900 @ 20.00 °C.
melting point : -96.00 °C. @ 760.00 mm Hg
boiling point : 74.00 to 75.00 °C. @ 760.00 mm Hg
acid value : 5.00  max.  KOH/g
vapor pressure :88.50000 mm/Hg @ 20.00 °C.
vapor density :2.5 ( Air = 1 )
flash point : 12.00  °F.  TCC  ( -11.11 °C. )
logP (o/w) : 0.88
shelf life : 6.00 month(s) or longer if stored properly.
storage :refrigerate in tightly sealed containers.  store under nitrogen.
safety :
most important hazard(s) :Xi - Irritant
  R 11 - Highly flammable.
R 38 - Irritating to skin.
S 02 - Keep out of the reach of children.
S 07/09 - Keep container tightly closed and in well-ventilated place.
S 23 - Do not breath vapour.
S 24/25 - Avoid contact with skin and eyes.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
Oral Toxicity(LD50) :
  Oral-Rat    2490.00  mg/kg
National Technical Information Service. Vol. OTS0516688

Intraperitoneal-Rat    800.00  mg/kg
Food and Cosmetics Toxicology. Vol. 17, Pg. 731, 1979.

Intraperitoneal-Mouse    1140.00  mg/kg
Food and Cosmetics Toxicology. Vol. 17, Pg. 731, 1979.

Dermal Toxicity(LD50) :
  Skin-Rabbit  3560.00  ul/kg
Union Carbide Data Sheet. Vol. 7/20/1965

Subcutaneous-Rat  10000.00  mg/kg
Acta Pharmacologica et Toxicologica. Vol. 6, Pg. 299, 1950.

Subcutaneous-Mouse  2700.00  mg/kg
Acta Pharmacologica et Toxicologica. Vol. 6, Pg. 299, 1950.

Inhalation Toxicity(LC50) :
  Inhalation-Mouse  44610.00  mg/m3/2H
  
Inhalation-Mammal ?  38000.00  mg/m3
  Acta Pharmacologica et Toxicologica. Vol. 6, Pg. 299, 1950.

 
safety in use :
 
recommendation for butyraldehyde usage levels up to :
 not for fragrance use.
recommendation for butyraldehyde usage levels up to :
  10.0000 ppm in the flavor.
safety references :
EPI System :view
IUCLID :view
NIOSH International Chemical Safety Cards :search
NLM Hazardous Substances Data Bank :search
Chemical Carcinogenesis Research Information System :Search
AIDS Citations :Search
Cancer Citations :Search
Toxicology Citations :Search
EPA GENetic TOXicology :Search
Env. Mutagen Info. Center :Search
National Toxicology Program :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
WISER :UN 1129
 
WGK Germany :1
 
 
 
 butanal
(EINECS) number :204-646-6
RTECS :123-72-8
chemidplus :000123728
EPA/NOAA CAMEO :hazardous materials
EPA Substance Registry Services :123-72-8
references :
 butanal
fl. number :05.003
jecfa number :86
NIST Chemistry WebBook :3413005147
pubchem :173310
Cosmetics :
Cosmetic uses : perfuming agents
other :
reference : Luebke, William tgsc, (1987)¹
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
 butal
 butalyde
 butanal
1-butanal
 butyl aldehyde
 butyral
N-butyraldehyde
 butyric aldehyde
soluble in :
 alcohol
 water, 1 part to 27 parts water
 water, 71000 mg/L @ 25C
(odor and/or flavor) blends with :
2-acetyl furan
2-acetyl pyrazine
2-acetyl pyrrole
2-acetyl-2-thiazoline
 amyl cinnamate
isoamyl cinnamate
 amyl phenyl acetate
isoamyl phenyl acetate
 butyl 2-methyl butyrate
 butyl cinnamate
2-sec-butyl-3-methoxypyrazine
2-isobutyl-3,(5 and 6)-dimethyl pyrazine
2(4)-isobutyl-4(2),6-dimethyl dihydro-4H-1,3,5-dithiazine
 caraway seed oleoresin
dextro-carvone
 chocolate pyrazine A
 chocolate pyrazine B
 cocoa butenal
 cocoa hexenal
 cocoa oleoresin
 cocoa pentenal
 cocoa propanal
3,6-cocoa pyrazine
 coffee furanone
 cyclamen aldehyde
 cyclohexyl methyl pyrazine
2,5-dihydroxy-1,4-dithiane
 diisoamyl thiomalate
2,5-dimethyl pyrazine
2,6-dimethyl pyrazine
2,6-dimethyl pyridine
4,5-dimethyl-2-ethyl thiazole
2,4-dimethyl-5-vinyl thiazole
2-ethyl butyraldehyde
2-ethyl furan
 ethyl phenyl acetate
2-ethyl-4-butanol
 eugenyl acetate
 fenugreek oleoresin
 fenugreek resinoid
 filbert pyrazine
 furfural
 furfuryl alcohol
 furfuryl octanoate
laevo-glutamic acid
laevo-glutamine
2,4-hexadien-1-ol
 hexyl pivalate
1-hydroxy-2-butanone
 maltol
2-methoxypyrazine
2-methyl butyraldehyde
 methyl ethoxypyrazine
 methyl heptenone
S-methyl methioninium chloride
2-methyl pyrazine
 octyl 2-methyl butyrate
 peanut dithiazine
 peanut oxazole
 phenethyl octanoate
 phenyl acetaldehyde
 propionaldehyde
2-propionyl thiazole
isopropyl formate
 shoyu furanone
 tetrahydrofurfuryl butyrate
2,3,5,6-tetramethyl pyrazine
 toffee furanone
2,3,5-trimethyl pyrazine
2,4,5-trimethyl thiazole
 valeraldehyde
gamma-valerolactone
 vinyl sulfurol
(odor and/or flavor) used in :
 apple
 bread white bread
 cajuput
 carrot
 cereal
 chocolate cocoa
 civet
 clary sage
 cream
 eucalyptus
 malt
 pea green pea
 pumpkin
 strawberry
 tomato
natural occurrence in :
apple
apple juice
arctic bramble
banana
bean
beef heated beef
beer
bergamot plant wild
bilberry
brandy grape brandy
brandy plum brandy
bread white bread
butter
cabbage
cajuput
carrot
cauliflower heated cauliflower
caviar
cheese bleu cheese
cheese swiss cheese
chicken
cider
clary sage
cocoa
coffee
cranberry
currant
eucalyptus globulus
feyoa
fish
garlic
ginger
grape
guava
honey
hop
litsea cubeba
data pagelovage flower oil @ 0.45%
data pagelovage leaf oil @ 0.08%
data pagelovage seed oil @ 0.35%
milk
onion
data pageosmanthus absolute @ trace%
peach
peanut roasted peanut
pear
peas
pecan roasted pecan
pork heated pork
potato
potato chip
rice cooked rice
sage
soya bean
strawberry
tea
tomato
data pagetrachyspermum roxburghianum benth. ex. kurz. seed oil india @ 0.10%
turkey
whiskey
wine



information only - not sold by The Good Scents Company.


Please share your Information / Comments.

Your email Address:


Top of Page          The Good Scents Company Home
Copyright © 1980-2009 The Good Scents Company Disclaimer Privacy Policy
Html Last modified 11/06/2009