benzaldehyde
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Notes :
Dilute with 10% benzyl or phenethyl alcohol for best results.
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
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
cas number :100-52-7
(EINECS) number :202-860-4
eu annex :605-012-00-5
beilstein number :0471223
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
XlogP3 : 1.50
molecular weight : 106.1219400 (IUPAC)
formula :C7 H6 O
BioActivity Analysis :73678
NMR Predictor :Predict
 
 
export tariff code :2912.21.0000
fda reg :182.60

Suppliers :
Advanced Biotech :benzaldehyde
99% min. natural
Odor:  Bitter Almond
Advanced Biotech :benzaldehyde
98% min. (EEC) natural
Odor:  Bitter Almond
Berje :Benzaldehyde
Natural
Berje :Benzaldehyde
Synthetic
Citrus and Allied Essences :benzaldehyde
rectified FCC
Elan :benzaldehyde
(Roasted Cassia Oil)(natural), Kosher
Fleurchem :benzaldehyde
natural
Fleurchem :benzaldehyde
Givaudan :Benzaldehyde
≥98%, natural (US Only), Kosher
Odor:  Bitter Almond,Burning,Sweet
Inoue :BENZALDEHYDE
John D. Walsh :Benzaldehyde
Mane :benzaldehyde
Moellhausen :benzaldehyde
99.8% min. nature identical kosher
Odor:  aromatic, spicy, stinging.
Flavor:  almond, sweet and spicy.
Moellhausen :benzaldehyde
98% min. natural kosher
Odor:  aromatic, spicy, stinging.
Flavor:  almond, sweet and spicy.
Mooreganics :Benzaldehyde
Natural (Organic Compliant)
Penta :benzaldehyde
Penta :benzaldehyde
natural
Polarome :BENZALDEHYDE
FCC SYNTHETIC
Robertet :Benzaldehyde (Ess. Amandes amères ex-prunus spp)
Pur & Nat
Sigma-Aldrich-SAFC :Benzaldehyde
≥98%, FCC, Kosher
Odor:  almond; cherry; sweet
Sigma-Aldrich-SAFC :Benzaldehyde
≥98%, natural, FCC, Kosher, FG
Odor:  almond; cherry; sweet
Symrise :Benzaldehyde DD
Odor:  strong sweet, fresh peeled bitter almond-like.
Flavor:  bitter almond-like.
Ungerer :Benzaldehyde
Ungerer :Benzaldehyde
Natural
Vigon :Benzaldehyde
Synthetic
Odor:  STRONG CHERRY LIKE
Vigon :Benzaldehyde
Natural
Odor:  STRONG CHERRY LIKE

organoleptics :
odor type :fruity
odor strength :high ,
recommend smelling in a 10.00 % solution or less
odor description :¹
at 10.00 % in dipropylene glycol.  
strong sharp sweet bitter almond cherry
odor sample from :Givaudan Corporation
substantivity :4  Hour(s)

properties :
appearence :colorless to pale yellow clear liquid
assay : 98.00 to 100.00 %   
halogens :passes test for chloinated compounds
Food Chemicals Codex Listed :Yes
specific gravity :1.04100 to 1.04600 @ 25.00 °C.
pounds per gallon - calc. : 8.662 to 8.704
specific gravity :1.04900 to 1.05500 @ 15.00 °C.
pounds per gallon - calc. : 8.747 to 8.797
refractive index :1.54400 to 1.54600 @ 20.00 °C.
melting point : -26.00 to -25.00 °C. @ 760.00 mm Hg
boiling point : 62.00 to 63.00 °C. @ 10.00 mm Hg
boiling point : 178.00 to 179.00 °C. @ 760.00 mm Hg
acid value : 5.00  max.  KOH/g
PH number :5.90
vapor pressure :1.27000 mm/Hg @ 25.00 °C.
vapor density :3.7 ( Air = 1 )
flash point : 145.00  °F.  TCC  ( 62.78 °C. )
logP (o/w) : 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.
  R 22 - Harmful if swallowed.
S 02 - Keep out of the reach of children.
S 24 - Avoid contact with skin.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
Oral Toxicity(LD50) :
  Gavage-Guineapig   [sex: M,F]  1000.00  mg/kg
(Jenner et al., 1964)

Gavage-Rat   [sex: M,F]  1300.00  mg/kg
(Jenner et al., 1964)

Oral-Rat    2850.00  mg/kg
(Sporn et al., 1967)

Gavage-Rat   [sex: M,F]  1300.00  mg/kg
(Taylor et al., 1964)

Dermal Toxicity(LD50) :
  Subcutaneous-Rat  5000.00  mg/kg
Archives Internationales de Pharmacodynamie et de Therapie. Vol. 27, Pg. 163, 1922.

Subcutaneous-Rabbit  5000.00  mg/kg
Food and Cosmetics Toxicology. Vol. 14, Pg. 693, 1976.

Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
Maximised Survey-derived Daily Intakes (MSDI-EU) :7900.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :36000.00 (μg/capita/day)
Structure Class :I
 
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 references :
European Food Safety Athority(efsa) :Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
msds :msds
EPI System :view
IUCLID :view
EPA-Iris :IRIS
NIOSH International Chemical Safety Cards :search
NLM Hazardous Substances Data Bank :search
Chemical Carcinogenesis Research Information System :Search
Cancer Citations :Search
Toxicology Citations :Search
Carcinogenic Potency Database :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 1990
 
WGK Germany :1
 
 
 
 benzaldehyde
(EINECS) number :202-860-4
RTECS :100-52-7
chemidplus :000100527
EPA/NOAA CAMEO :hazardous materials
EPA Substance Registry Services :100-52-7
dtp/nci :7917

references :
 benzaldehyde
fl. number :05.013
jecfa number :22
NIST Chemistry WebBook :602410008
pubchem :150584

Cosmetics :
Cosmetic uses : denaturants
masking agents
solvents

other :
reference : Luebke, William tgsc, (1982)¹
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
 C of A
FDA Everything Added to Food in the United States (EAFUS)View
Household Products : Search
synonyms :
 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 2-ethyl butyrate
 allyl amyl glycolate
 allyl benzoate
 allyl cyclohexyl propionate
 allyl hexanoate
 allyl isovalerate
 almond oil bitter
isoamyl 2-methyl butyrate
isoamyl acetate
 amyl butyrate
isoamyl butyrate
isoamyl isovalerate
ortho-anisaldehyde
 anise indene
para-anisyl acetate
para-anisyl propionate
 benzaldehyde / methyl anthranilate schiff's base
 benzaldehyde dimethyl acetal
 benzaldehyde glycrol acetal
2-benzofuran carboxaldehyde
 benzophenone
 benzyl acetate
 benzyl alcohol
 benzyl cinnamate
 benzyl propionate
 blood orange oil
 bois de rose oil
 bread thiophene
 butyrophenone
laevo-carvone
 cassia bark oil
 cherry laurel oil
 cherry oxyacetate
 cherry pentenoate
 cherry propanol
 chocolate pyrazine A
 chocolate pyrazine B
 cinnamyl isovalerate
 citronellyl acetate
 citronellyl nitrile
 citrus carbaldehyde
 clove bud oil
 cocoa pyrazine
 coconut absolute
 coumarin
 cyclohexyl cinnamate
 cyclohexyl formate
 dibenzyl ketone
 diethyl malonate
 dihydroactinidolide
 dihydromyrcenol
 dimethyl anthranilate
2,4-dimethyl benzaldehyde
 ethyl 2-phenyl-3-furoate
 ethyl acetoacetate
4-ethyl benzaldehyde
 ethyl benzoyl acetate
 ethyl butyrate
 ethyl cinnamate
 ethyl heptanoate
 ethyl methyl-para-tolyl glycidate
 ethyl phenyl acetate
5-ethyl-2-thiophene carboxaldehyde
2-ethyl-3,5(6)-dimethyl pyrazine mixture
 fir carboxylate
 fir needle oil
 furfural
 geranyl crotonate
 green acetate
 heliotropin
(E,E)-2,4-heptadien-1-ol
 heptyl isobutyrate
2,4-hexadien-1-ol
3,4-hexane dione
2-hexen-1-al
(Z)-3-hexen-1-yl 2-methyl butyrate
(Z)-3-hexen-1-yl acetate
(Z)-3-hexen-1-yl butyrate
 hexyl 2-methyl butyrate
 hexyl pivalate
2'-hydroxyacetophenone
 linalool
 linalool oxide
 linalool oxide acetates
 linalyl acetate
2-methoxy-3-methyl pyrazine
2'-methoxyacetophenone
(E)-para-methoxycinnamaldehyde
para-methoxycinnamaldehyde
 methyl (E)-cinnamate
 methyl acetophenone
para-methyl anisole
 methyl benzoate
 methyl cinnamate
 methyl cyclogeranate
 methyl furfuracrylate
 methyl phenyl acetate
4-methyl salicylaldehyde
3-methyl-2-buten-1-al
2-methyl-3-(methyl thio) pyrazine
2-methyl-3,(5 or 6)-ethoxypyrazine
 myrtenyl isobutyrate
 nutty cyclohexenone
 orange oil
laevo-perillaldehyde
 petitgrain lemon oil
beta-sesquiphellandrene
 phenethyl acetate
 phenyl acetaldehyde diethyl acetal
 phenyl acetaldehyde diisobutyl acetal
 phenyl pyruvic acid
 powdery ketone
 raspberry ketone methyl ether
 rose butanoate
alpha-terpinyl acetate
 tetrahydromyrcenol
 tolualdehyde glyceryl acetal
 tolualdehydes (mixed o/m/p)
meta-tolyl aldehyde
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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