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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 |
| 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 |
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| export tariff code : | 2912.21.0000 |
| fda reg : | 182.60 |
Suppliers :
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| 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
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| Givaudan : | Benzaldehyde
≥98%, natural (US Only), Kosher Odor: Bitter Almond,Burning,Sweet |
| Inoue : | BENZALDEHYDE
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| John D. Walsh : | Benzaldehyde
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| Mane : | benzaldehyde
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| 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
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| 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
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| Ungerer : | Benzaldehyde
Natural |
| Vigon : | Benzaldehyde
Synthetic Odor: STRONG CHERRY LIKE |
| Vigon : | Benzaldehyde
Natural Odor: STRONG CHERRY LIKE |
organoleptics :
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| 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 :
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| appearence : | colorless to pale yellow clear liquid |
| assay : | 98.00 to 100.00 %
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| halogens : | passes test for chloinated compounds |
| Food Chemicals Codex Listed : | Yes |
| specific gravity : | 1.04100 to 1.04600 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.662 to 8.704
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| specific gravity : | 1.04900 to 1.05500 @ 15.00 °C.
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| pounds per gallon - calc. : | 8.747 to 8.797
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| refractive index : | 1.54400 to 1.54600 @ 20.00 °C.
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| melting point : | -26.00 to -25.00 °C. @ 760.00 mm Hg
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| boiling point : | 62.00 to 63.00 °C. @ 10.00 mm Hg
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| boiling point : | 178.00 to 179.00 °C. @ 760.00 mm Hg
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| acid value : | 5.00 max. KOH/g
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| PH number : | 5.90
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| vapor pressure : | 1.27000 mm/Hg @ 25.00 °C. |
| vapor density : | 3.7 ( Air = 1 ) |
| flash point : | 145.00 °F. TCC ( 62.78 °C. )
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| 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 :
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| most important hazard(s) : | Xn - Harmful. |
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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.
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| Oral Toxicity(LD50) : |
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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)
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| Dermal Toxicity(LD50) : |
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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.
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| Inhalation Toxicity(LC50) : |
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Not determined
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safety in use :
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| 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 |
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| recommendation for benzaldehyde usage levels up to : |
| | 8.0000 % in the fragrance concentrate.
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| recommendation for benzaldehyde usage levels up to : |
| | 840.0000 ppm in the flavor.
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safety references :
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| 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 |
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| WGK Germany : | 1 |
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| | benzaldehyde
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| (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 :
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| | benzaldehyde
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| fl. number : | 05.013 |
| jecfa number : | 22 |
| NIST Chemistry WebBook : | 602410008 |
| pubchem : | 150584 |
Cosmetics :
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| Cosmetic uses : |
denaturants
masking agents
solvents
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other :
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| 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 |