Benzaldehyde
SIAL/B1334 - ReagentPlus®, ≥99%
Synonym: Bitter almond
CAS Number: 100-52-7
Empirical Formula (Hill Notation): C7H6O
Molecular Weight: 106.12
EC Number: 202-860-4
MDL Number: MFCD00003299
Linear Formula: C6H5CHO
Product Type: Chemical
This picture is provided solely for illustration purposes. Optical properties of the actual product may deviate. Relevant product information is printed on labeled products and other accompanying or available information material. This image depicts SKU: B1334-100G.
This picture is provided solely for illustration purposes. Optical properties of the actual product may deviate. Relevant product information is printed on labeled products and other accompanying or available information material. This image depicts SKU: B1334-1KG.
| assay | ≥99% |
| autoignition temp. | 374 °F |
| bp | 178-179 °C (lit.) |
| density | 1.044 g/cm3 at 20 °C (lit.) |
| expl. lim. | 1.4 %, 20 °F |
| form | liquid |
| InChI | 1S/C7H6O/c8-6-7-4-2-1-3-5 |
| InChI key | HUMNYLRZRPPJDN-UHFFFAOYSA |
| mp | −26 °C (lit.) |
| pH | 5.9 (20 °C) |
| product line | ReagentPlus® |
| Quality Level | 200  |
| refractive index | n |
| SMILES string | O=Cc1ccccc1 |
| vapor density | 3.7 (vs air) |
| vapor pressure | 4 mmHg ( 45 °C) |
| Application: | Benzaldehyde has been used as a standard in the quantification of Achillea ligustica essential oil by GC-MS (Gas Chromatography-Mass Spectrometry). |
| Application: | Benzaldehyde may be used in the following studies: • Preparation of optically active 1-phenylpropan-1-ol. • Synthesis of meso-tetraphenylporphins and chlorins. • As a test compound to study oxidative amidation reaction of aliphatic primary/secondary amines using N-heterocyclic carbine as a catalyst. • Synthesis of 2-phenyl-2,3-dihydro-4H-pyran-4-one with high enantioselectivity by hetero-Diels-Alder (HDA) reaction with Danishefsky′s diene. |
| General description: | Benzaldehyde is an aromatic aldehyde. Rotational transitions in benzaldehyde have been explained based on its microwave absorption spectrum. The conversion of benzaldehyde into reduced compounds in the presence of metal oxides has been studied. SmFeO3 (perovskite-type oxide catalyst) catalyzed cyanosilylation reaction of benzaldehyde with trimethylsilyl cyanide (TMSCN) has been reported. |
| Legal Information: | ReagentPlus is a registered trademark of Merck KGaA, Darmstadt, Germany |
| Packaging: | 1, 3 kg in glass bottle |
| Packaging: | 18 kg in steel drum |
| Packaging: | 2, 5, 100 g in glass bottle |
| Quality: | Chlorine-free |
| Symbol |  GHS07 |
| Signal word | Warning |
| Hazard statements | H302 + H332 - H315 - H319 - H335 - H412 |
| Precautionary statements | P261 - P273 - P301 + P312 - P302 + P352 - P304 + P340 + P312 - P305 + P351 + P338 |
| Hazard Codes | Xn |
| Risk Statements | 22 |
| Safety Statements | 24 |
| RIDADR | UN 1990 9 / PGIII |
| WGK Germany | WGK 1 |
| Flash Point(F) | 145.4 °F |
| Flash Point(C) | 63 °C |
| Purity | ≥99% |
| bp | 178-179 °C (lit.) |
| mp | −26 °C (lit.) |
| Density | 1.044 g/cm3 at 20 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 12352100 |