butyraldehyde
Suppliers  organoleptics  properties  safety  references  cosmetics    FEMA Index    Home Page
 
Right Click Jmol Molecule For More Options. (Safari 1.2 (v125) Compatible). Jmol is a free download found Here.
 
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
pherobase :view
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
Suggested Uses: Chocolate, Cocoa, Dairy Products, Hard Fruits, Soft Fruits
Hofmen :Butyraldehyde
99%, (naturals)
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 description¹ :
at 1.00 % in dipropylene glycol.  		pungent cocoa musty green malty bready
odor description³ :
at 1.00 %.  		Pungent, diffusive, cocoa, choking, musty, green, malty
taste description³ :
at 10.00 ppm.  		Cocoa, green, grainy, fermented
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 fragrance usage levels up to :
 not for fragrance use.
recommendation for butyraldehyde flavor 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
Flavornet :123-72-8
Cosmetics :
Cosmetic uses : perfuming agents
other :
reference : Luebke, William tgsc, (1987)¹
reference : Mosciano, Gerard P&F 24, No. 2, 49, (1999)³
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
RIFM :listed
FDA Everything Added to Food in the United States (EAFUS)View
FDA Listing of Food Additive Status Part I (A through GView
FDA Listing of Food Additive Status Part II (H through ZView
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
potential blenders :
2-acetyl furanFL/FR
2-acetyl pyrazineFL/FR
2-acetyl pyrroleFL
2-acetyl-2-thiazolineFL
 amyl cinnamateFL/FR
isoamyl cinnamateFL/FR
 amyl phenyl acetateFL/FR
isoamyl phenyl acetateFL/FR
 butyl 2-methyl butyrateFL/FR
 butyl cinnamateFL/FR
2-sec-butyl-3-methoxypyrazineFL/FR
2-isobutyl-3,(5 and 6)-dimethyl pyrazineFL/FR
2(4)-isobutyl-4(2),6-dimethyl dihydro-4H-1,3,5-dithiazineFL
 caraway seed oleoresinFL
dextro-carvoneFL/FR
 chocolate pyrazine AFL
 chocolate pyrazine BFL
 cocoa butenalFL/FR
 cocoa hexenalFL/FR
 cocoa oleoresinFL
 cocoa pentenalFL/FR
 cocoa propanalFL
3,6-cocoa pyrazineFL
 coffee furanoneFL
 cyclamen aldehydeFL/FR
 cyclohexyl methyl pyrazineFL
2,5-dihydroxy-1,4-dithianeFL
 diisoamyl thiomalateFL/FR
2,5-dimethyl pyrazineFL
2,6-dimethyl pyrazineFL
2,6-dimethyl pyridineFL
4,5-dimethyl-2-ethyl thiazoleFL
2,4-dimethyl-5-vinyl thiazoleFL
2-ethyl butyraldehydeFL
2-ethyl furanFL/FR
 ethyl phenyl acetateFL/FR
2-ethyl-4-butanolFL/FR
 eugenyl acetateFL/FR
 fenugreek oleoresinFL
 fenugreek resinoidFR
 filbert pyrazineFL
 furfuralFL
 furfuryl alcoholFL
 furfuryl octanoateFL/FR
laevo-glutamic acidFL
laevo-glutamineFL
2,4-hexadien-1-olFL
 hexyl pivalateFL/FR
1-hydroxy-2-butanoneFL/FR
 maltolFL/FR
2-methoxypyrazineFL
2-methyl butyraldehydeFL
 methyl ethoxypyrazineFL
 methyl heptenoneFL/FR
S-methyl methioninium chlorideFL
2-methyl pyrazineFL
 octyl 2-methyl butyrateFL/FR
 peanut dithiazineFL/FR
 peanut oxazoleFL
 phenethyl octanoateFL/FR
 phenyl acetaldehydeFL/FR
 propionaldehydeFL
2-propionyl thiazoleFL
isopropyl formateFL
 shoyu furanoneFL/FR
 tetrahydrofurfuryl butyrateFL/FR
2,3,5,6-tetramethyl pyrazineFL
 toffee furanoneFL/FR
2,3,5-trimethyl pyrazineFL
2,4,5-trimethyl thiazoleFL
 valeraldehydeFL
gamma-valerolactoneFL/FR
 vinyl sulfurolFL/FR
potential uses :
 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 S
 banana  
 bean  
 beef heated beef  
 beer  
 bergamot plant wild S
 bilberry S
 brandy grape brandy  
 brandy plum brandy  
 bread white bread  
 butter  
 cabbage  
 cajuput S
 carrot S
 cauliflower heated cauliflower  
 caviar  
 cheese bleu cheese  
 cheese swiss cheese  
 chicken  
 cider  
 clary sage S
 cocoa S
 coffee  
 cranberry S
 currant  
 eucalyptus globulus S
 feyoa  
 fish  
 garlic S
 ginger S
 grape  
 guava S
 honey  
 hop S
 litsea cubeba S
data pagelovage flower oil @ 0.45% S
data pagelovage leaf oil @ 0.08% S
data pagelovage seed oil @ 0.35% S
 milk  
 onion S
data pageosmanthus absolute @ trace% S
 peach  
 peanut roasted peanut  
 pear  
 peas  
 pecan roasted pecan  
 pork heated pork  
 potato  
 potato chip  
 rice cooked rice  
 sage  
 soya bean S
 strawberry S
 tea  
 tomato  
data pagetrachyspermum roxburghianum benth. ex. kurz. seed oil india @ 0.10% S
 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 © 1980-2010 The Good Scents Company Disclaimer Privacy Policy
Html Last modified 01/27/2010