benzaldehyde
Notes :
Dilute with 10% benzyl or phenethyl alcohol for best results.
 
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IUPAC name :benzaldehyde
InChI :InChI=1/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H
InChIKey :HUMNYLRZRPPJDN-UHFFFAOYAE
SMILES :C1=CC=C(C=C1)C=O
(EINECS) number :202-860-4
eu annex :605-012-00-5
cas number :100-52-7
fema number :2127
coe number :101
jecfa number :22
fl. number :05.013
molar refractivity :33.00 ± 0.3 cm3
parachor :252.3 ± 4.0 cm3
index of refraction :1.566 ± 0.02
surface tension :38.8 ± 3.0 dyne/cm
density :1.049 ± 0.06 g/cm3
polarizability :13.08 ± 0.5 10-24cm3
xlogp : 1.70
molecular weight : 106.1219400
formula :C7 H6 O
BioActivity Analysis :73678
 
 
fda reg :182.60 h. number :2912.21.0000
organoleptics : 
odor type :fruity
odor strength :high ,
recommend smelling in a 10.00 % solution or less
odor description :
at 10.00 % in dipropylene glycol.  
strong sharp sweet bitter almond cherry
taste description³ :at 50.00 ppm.  
Sweet, oily, almond, cherry, nutty and woody
substantivity :4  Hour(s)
properties : 
appearence :colorless to pale yellow clear liquid
assay : 99.00 - 100.00 %   
Food Chemicals Codex Listed :Yes
specific gravity :1.04100 - 1.04600 @ 25.00 °C.
pounds per gallon - calc. : 8.662 to 8.704
specific gravity :1.04900 - 1.05500 @ 15.00 °C.
pounds per gallon - calc. : 8.747 to 8.797
refractive index :1.54400 - 1.54600 @ 20.00 °C.
melting point : -26.00 - -25.00 °C. @ 760.00 mm Hg
boiling point : 62.00 - 63.00 °C. @ 10.00 mm Hg
boiling point : 178.00 - 179.00 °C. @ 760.00 mm Hg
logp : 1.48
shelf life : 18.00 month(s) or longer if stored properly.
storage :store in cool, dry place in tightly sealed containers, protected from heat and light.  store under nitrogen.
safety : 
most important hazard(s) : Xn - Harmful.
  
Oral Toxicity(LD50) : Oral-Rat    1300.00  mg/kg  FCTXAV  2,327,1964
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 145.00  °F.  TCC  ( 62.78 °C. )
  
recommendation for benzaldehyde usage levels up to :
  8.0000 % in the fragrance concentrate.
  
recommendation for benzaldehyde usage levels up to :
  840.0000 ppm in the flavor.
  
safety links : 
msds :msds
  
(EINECS) number :202-860-4
rtecs :CU4375000 for 100-52-7
chemidplus :000100527
epa-srs :100-52-7
dtp/nci :7917
  
other : 
  C of A
references : 
pubchem :150584
NIST Chemistry WebBook :602410008
  
reference : Mosciano, Gerard P&F 19, No. 5, 79, (1994)³
synonyms :
 benzaldehyde
 benzene carbaldehyde
 benzene carbonal
 benzene carboxaldehyde
 benzene methylal
 benzoic aldehyde
 benzoyl hydride
 bitter almond oil synthetic
 phenyl methanal
soluble in :
 ether
 ethyl alcohol, 1:1-1::1.5 in 70% alcohol
 ethyl alcohol, 1:2.5 in 60% alcohol
 ethyl alcohol, 1:8 in 50% alcohol
 ethyl alcohol, 5 vol. of 50% alcohol
 kerosene
insoluble in :
 water
stability :
 non-discoloring in most media
(odor and/or flavor) blends with :
 acetaldehyde ethyl phenethyl acetal
 acetophenone
2-acetyl furan
 allyl amyl glycolate
 allyl cyclohexyl propionate
 allyl hexanoate
 almond oil
isoamyl acetate
isoamyl butyrate
isoamyl isovalerate
 benzophenone
 benzyl acetate
 benzyl alcohol
 benzyl cinnamate
 benzyl propionate
 blood orange oil
 bois de rose oil
laevo-carvone
 cassia bark oil
 citronellyl acetate
 citronellyl nitrile
 citrus carbaldehyde
 coumarin
 diethyl malonate
 dihydromyrcenol
 dimethyl anthranilate
 ethyl acetoacetate
 ethyl butyrate
 ethyl cinnamate
 ethyl heptanoate
 ethyl phenyl acetate
 fir needle oil
 green acetate
 heliotropin
(Z)-3-hexen-1-yl 2-methyl butyrate
(Z)-3-hexen-1-yl acetate
(Z)-3-hexen-1-yl butyrate
 hexyl 2-methyl butyrate
 linalool
 linalool oxide
 linalyl acetate
 methyl acetophenone
para-methyl anisole
 methyl benzoate
 orange oil
 phenethyl acetate
 rose butanoate
alpha-terpinyl acetate
 tetrahydromyrcenol
para-tolyl aldehyde
 vanillin
(odor and/or flavor) used in :
 a la mode
 acacia
 aldehydic
 almond
 almond blossom
 apple
 apple crabapple
 apple green apple
 apricot
 arrack
 balsam
 beer
 berry
 blackberry
 bouquet
 brandy
 bread white bread
 briar sweet briar eglantine
 bubblegum
 butter
 butterscotch
 cassia
 cassie acacia farnesiana
 cherry
 cherry black cherry
 cherry blossom
 cherry maraschino cherry
 cherry wild cherry
 cinnamon
 citrus
 clove blossom
 coconut
 coconut tropical coconut
 coffee
 cranberry
 cream
 elder blossom
 elderberry
 gooseberry
 grenadine
 heliotrope
 herbal
 hibiscus
 loganberry dewberry
 marigold tagete
 mint
 mulberry
 myrtle
 nut pecan
 nut pistachio
 nut walnut
 papaya
 passion blossom
 passion fruit
 peach
 pineapple
 plum
 plum blossom
 pomegranate
 potato chip
 quince
 raspberry
 rice
 rose wild rose
 rum
 spice
 starfruit
 strawberry
 tomato
 topnotes
 tropical
 vanilla
 violet
 whiskey
natural occurrence in :
almond bitter almond
anacyclus officinarum
anacyclus pedunculatus
apple 47 ppm
apple juice 294 ppm
apricot kernel
beer 216 ppm
bread white bread 40903 ppm
butter 1 ppm
data pagecarnation absolute @ <0.01%
cassia
data pagecassia bark oil china @ 0.54%
data pagecassia leaf oil china @ 0.54%
data pagecassie absolute @ 5.98%
data pagechamomile oil @ 0.02%
data pagechampaca concrete @ 0.03%
chrysophyllum arten
cinnamon bark
data pagecinnamon bark oil (cinnamomum zeylanicum blume) sri lauka @ trace-0.05%
data pagecinnamon bark oil ceylon @ 0.54%
cinnamon leaf
data pagecinnamon oil CO2 extract @ 0.02-0.03%
citronella
data pageclove bud oil @ 0.07%
data pageclove leaf oil @ 0.07%
data pageclove stem oil india @ 0.03%
coffee roasted 2008 ppm
data pagecouroupita guianensis aubl. flower oil brazil @ 0.40%
cranberry 67 ppm
davallia brasiliensis
data pagefeatherfew leaf oil @ trace%
data pageguava fruit oil reunion @ 0.20%
data pageguava leaf oil cuba @ 0.20%
data pageherniaria incana lam. oil greece @ 0.40%
hyacinth
data pagejasmin absolute china @ 0.02%
data pagekewda oil @ trace%
labdanum
lacuma deliciosa
lacuma multiflora
data pagelaurel leaf oil turkey @ trace%
data pagelavandin oil china @ 0.13%
data pagelecythis usitata miers. var. paraensis (ducke) r. kunth. flower oil brazil @ 2.40%
data pagemandarin oil italy @ 0.02%
data pagemangrove bark red oil cuba @ 0.10%
data pagenarcissus absolute @ trace%
neroli
niaouli
data pageocimum gratissimum l. oil brazil @ trace%
orris
data pageosmanthus absolute @ 0.19%
patchouli
peach
data pagepetitgrain mandarin oil @ trace%
potato chip 197 ppm
raspberry plant
rice cooked rice 23 ppm
sambucus nigra
sassafras
data pagestar fruit oil cuba @ trace%
strawberry 39 ppm
data pagetejpat oil @ 0.20%
data pagethyme oil spain @ trace%
tomato 8501 ppm
data pageylang ylang oil @ 0.94%
data pageylang ylang oil CO2 extract @ 0.59%



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