valeraldehyde
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 :pentanal
InChI :InChI=1/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3
InChIKey :HGBOYTHUEUWSSQ-UHFFFAOYAJ
SMILES :CCCCC=O
cas number :110-62-3
(EINECS) number :203-784-4
beilstein number :1616304
fema number :3098
coe number :93
jecfa number :89
fl. number :05.005
molar refractivity :25.40 ± 0.3 cm3
parachor :239.9 ± 4.0 cm3
index of refraction :1.384 ± 0.02
surface tension :24.0 ± 3.0 dyne/cm
density :0.794 ± 0.06 g/cm3
polarizability :10.06 ± 0.5 10-24cm3
XlogP : 1.70
molecular weight : 86.1323000 (IUPAC)
formula :C5 H10 O
BioActivity Analysis :17389654
pherobase floral:view
NMR Predictor :Predict
 
 
export tariff code :2912.10
fda reg :172.515
Suppliers :
BASF :N-Valeraldehyde
≥ 96% (CGC)
Odor:  Dry, fruity, nutty
Berje :N-Valeraldehyde
Cargill - Alfrebro :n-VALERALDEHYDE
natural, Kosher
Fontarome :VALERALDEHYDE
Odor:  Very powerful and diffusive, penetrating, acrid-pungent
Penta :valeraldehyde
Penta :valeraldehyde
natural
Sigma-Aldrich-SAFC :Valeraldehyde
≥97%, FCC, Kosher
Odor:  nutty; fruity; vanilla; woody
If you get a cover box over Sigma-aldrich web page, click here to set your country of origin.
organoleptics :
odor type :fermented
odor strength :high ,
recommend smelling in a 1.00 % solution or less
odor description:
at 1.00 % in dipropylene glycol.  		fermented bready fruity nutty berry
odor description³ :
Diffusive, fermented, bready, fruity with berry nuances
taste description³ :
at 25.00 ppm.  		Winey, fermented, bready, cocoa chocolate notes
properties :
appearence :colorless to pale yellow clear liquid
assay : 97.00 to 100.00 %   
Food Chemicals Codex Listed :Yes
specific gravity :0.80500 to 0.80900 @ 25.00 °C.
pounds per gallon - calc. : 6.698 to 6.732
refractive index :1.39000 to 1.39500 @ 20.00 °C.
melting point : -92.00 °C. @ 760.00 mm Hg
boiling point : 102.00 to 103.00 °C. @ 760.00 mm Hg
acid value : 5.00  max.  KOH/g
vapor pressure :26.00000 mm/Hg @ 20.00 °C.
vapor density :3.0 ( Air = 1 )
flash point : 55.00  °F.  TCC  ( 12.78 °C. )
logP (o/w) : 1.31
safety :
most important hazard(s) :Xn - Harmful.
  R 11 - Highly flammable.
R 20 - Harmful by inhalation.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
S 23 - Do not breath vapour.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
Oral Toxicity(LD50) : 
  Oral-Rat    5660.00  ul/kg
American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969.

Oral-Mouse    6400.00  mg/kg

Intraperitoneal-Rat    400.00  mg/kg

Intraperitoneal-Mouse    200.00  mg/kg

Dermal Toxicity(LD50) : 
  Skin-Rabbit  5.00  ml/kg
National Technical Information Service. Vol. OTS0535072

Skin-Guineapig  20000.00  mg/kg

Subcutaneous-Mouse  2000.00  mg/kg

Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavor and fragrance agents
 
recommendation for valeraldehyde fragrance usage levels up to :
  2.0000 % in the fragrance concentrate.
recommendation for valeraldehyde flavor usage levels up to :
  25.0000 ppm in the flavor.
safety references :
EPI System :view
NIOSH International Chemical Safety Cards :search
NIOSH Pocket Guide :search
NLM Hazardous Substances Data Bank :search
Chemical Carcinogenesis Research Information System :Search
Cancer Citations :Search
Toxicology Citations :Search
EPA GENetic TOXicology :Search
Env. Mutagen Info. Center :Search
NLM Developmental and Reproductive Toxicity :Search
National Toxicology Program :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
WISER :UN 2058
 
WGK Germany :1
 
 
 
 
pentanal
(EINECS) number :203-784-4
RTECS :110-62-3
chemidplus :000110623
EPA/NOAA CAMEO :hazardous materials
EPA Substance Registry Services :110-62-3
dtp/nci :35404
references :
 
pentanal
fl. number :05.005
jecfa number :89
NIST Chemistry WebBook :2748920556
pubchem :151183
Flavornet :110-62-3
Cosmetics :
Cosmetic uses : perfuming agents
other :
reference : Mosciano, Gerard P&F 19, No. 2, 55, (1994)³
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
RIFM :listed
FMA :listed
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
 aldehyde C-5
 amyl aldehyde
 pentanal
 valeral
N-valeraldehyde
 valerianic aldehyde
 valeric acid aldehyde
 valeric aldehyde
N-valeric aldehyde
 valeryl aldehyde
soluble in :
 alcohol
 water, 11700 mg/L @ 25C
insoluble in :
 water
potential blenders :    note
2-acetyl furanFL/FR
2-acetyl pyrazineFL/FR
2-acetyl pyrroleFL/FR
2-acetyl-2-thiazolineFL
 allyl tiglateFL
 ambrette seed absoluteFL/FR
delta6-isoambrettolideFL/FR
 amyl cinnamateFL/FR
isoamyl cinnamateFL/FR
 amyl phenyl acetateFL/FR
isoamyl phenyl acetateFL/FR
3-benzyl-4-heptanoneFL/FR
 berry hexanoateFR
 blackberry thiophenoneFL/FR
 buchu mercaptanFL/FR
 butyl 2-methyl butyrateFL/FR
 butyl acetoacetateFL/FR
 butyl cinnamateFL/FR
 butyl hexanoateFL/FR
 butyl lactateFL/FR
 butyl laevo-lactateFL/FR
2-isobutyl-3,(5 and 6)-dimethyl pyrazineFL/FR
2(4)-isobutyl-4(2),6-dimethyl dihydro-4H-1,3,5-dithiazineFL
 butyraldehydeFL
 caraway seed oleoresinFL
dextro-carvoneFL/FR
 chocolate pyrazine AFL/FR
 chocolate pyrazine BFL
 cocoa butenalFL/FR
 cocoa hexenalFL/FR
 cocoa oleoresinFL
 cocoa pentenalFL/FR
 cocoa propanalFL
3,6-cocoa pyrazineFL
 coffee furanoneFL
 cognac oil whiteFL/FR
alpha-damasconeFL/FR
2,5-dihydroxy-1,4-dithianeFL
 diisoamyl thiomalateFL
2,5-dimethyl pyrazineFL/FR
2,6-dimethyl pyrazineFL/FR
2,6-dimethyl pyridineFL
4,5-dimethyl-2-ethyl thiazoleFL
2,4-dimethyl-5-vinyl thiazoleFL
 ethyl 2-hydroxy-3-methyl valerateFL/FR
 ethyl 3-oxohexanoateFL
2-ethyl butyraldehydeFL
 ethyl methyl-para-tolyl glycidateFL/FR
 ethyl phenyl acetateFL/FR
2-ethyl-4-butanolFL/FR
 fenugreek oleoresinFL
 fenugreek resinoidFL/FR
 filbert pyrazineFL
 furfuralFL
 furfuryl alcoholFL
 furfuryl isovalerateFL
 furfuryl octanoateFL
 geranyl acetoacetateFL/FR
 heliotropyl isobutyrateFL/FR
(Z)-3-hexen-1-yl 2-methyl butyrateFL/FR
beta-iononeFL/FR
beta-ionone epoxideFL/FR
 maltolFL/FR
 maltyl isobutyrateFL/FR
dextro,laevo-menthyl acetateFL/FR
2-methoxypyrazineFL/FR
 methyl 2-methyl valerateFL/FR
2-methyl butyraldehydeFL
 methyl ethoxypyrazineFL
 methyl furfuryl disulfideFL/FR
2-methyl pyrazineFL/FR
 methyl thiol isovalerateFL
 nerolin fragarolFL/FR
(E)-5-nonen-2-oneFL
3-nonen-2-oneFL/FR
(E)-2-octen-1-yl butyrateFL/FR
(E)-2-octen-4-olFL
 orangeflower concrete moroccoFR
 osmanthus absoluteFL/FR
 peanut dithiazineFL
 phenethyl octanoateFL/FR
 phenyl acetaldehydeFL/FR
 pinacolFL/FR
isopropenyl acetateFL/FR
 propionaldehydeFL
2-propionyl thiazoleFL
 propyl alcoholFL/FR
 propyl formateFL/FR
isopropyl formateFL/FR
 rose carboxylateFR
 shoyu furanoneFL/FR
 styralyl butyrateFL/FR
2,3,5,6-tetramethyl pyrazineFL/FR
 thiogeraniolFL/FR
 toffee furanoneFL/FR
2,3,5-trimethyl pyrazineFL/FR
2,4,5-trimethyl thiazoleFL/FR
gamma-valerolactoneFL/FR
 vanilla carboxylateFL/FR
 vinyl sulfurolFL
potential uses :
 apple
 asparagus
 banana
 bread
 carrot
 caviar
 celery
 cheese
 chocolate cocoa
 clary sage
 coffee
 cranberry
 currant
 dry
 fruit
 grape
 guava
 huckleberry bilberry
 nut
 pea green pea
 tomato
 vanilla
natural occurrence in :    note
 apple  
 arctic bramble S
 asparagus S
 banana  
 bantu beer  
 barley S
 beans  
 beef heated beef  
 beer  
 bilberry S
 brandy  
 brandy grape brandy  
 bread  
 cabbage  
 carrot S
 caviar  
 celery S
 cheeses  
 chicken  
 cider  
 citrus fruits  
 clary sage bulgarian S
 cocoa S
 coffee  
 cranberry S
 currant  
 eucalyptus cinerea S
 eucalyptus dives S
 eucalyptus flobulus S
 eucalyptus hemilampra S
 eucalyptus maideni S
 filbert roasted filbert  
 fish  
 grape  
 guava S
 honey  
 hop oil S
 leek heated leek  
data pagelovage flower oil @ trace% S
data pagelovage leaf oil @ trace% S
 meat raw meat  
 milk  
 mint  
 mushroom  
 olive  
data pageosmanthus absolute @ 0.003% S
 peanut roasted peanut  
 peas  
 pecan roasted pecan  
 plum  
 popcorn  
 pork heated pork  
 potato  
 potato chip  
 rose bulgarian S
 rum  
 sassafras brazilian S
 soya bean S
 tea  
 tomato  
 trassi cooked trassi S
 turkey  
 walnut  
 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 02/04/2010