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HCID 10758Erstellt: 27. Oktober 2026

Mandelonitrile

Ai3-50437 · DL-MANDELONITRILE · Benzaldehydkyanhydrin [czech]

https://huagongshe.com/de/chemical/10758

Molekülstruktur von Mandelonitrile

Identifikatoren & physikalische Daten

CAS No.532-28-5
SummenformelC8H7NO
Durchschnittliche Molmasse133,15 g/mol
Monoisotopische Masse133,05276385 g/mol
SMILESN#CC(O)c1ccccc1
InChIKeyNNICRUQPODTGRU-UHFFFAOYSA-N
PubChem CID10758
ChEMBLCHEMBL1393845
ChEBICHEBI:16910
EC No.208-532-7
DTXSIDDTXSID2025422

Chemische & physikalische Eigenschaften

XLogP1
Polarare Oberfläche (TPSA)44
H-Brücken-Donoren1
H-Brücken-Akzeptoren2
Frei drehbare Bindungen1
Schwere Atome10
Formalladung0
Komplexität141
Dichte1.1165 at 68 °F (NTP, 1992) - Denser than waterwill sink
Löslichkeitless than 1 mg/mL at 68 °F (NTP, 1992)
Flammpunkt179.5 °F (NTP, 1992)
Siedepunkt338 °F at 760 mmHg (decomposes) (NTP, 1992)245.66°C (rough estimate)
Schmelzpunkt14 °F (also given as 72 °F) (NTP, 1992)21.5 - 22 °C22°C
Physical DescriptionReddish-brown to dark red-brown liquid. (NTP, 1992)Reddish-brown liquid[CAMEO] Yellow to red-brown liquid[Alfa Aesar MSDS]Solid
Collision Cross Section128.9 Ų [M+H]+ [CCS Type: DTMethod: single field calibrated with Agilent tune mix (Agilent)]
Brechungsindex1.5282 (estimate)
AggregatzustandWhite prismatic crystals or yellowish oily liquid.

Sicherheit & Vorschriften

GHS-EinstufungDangerH301 (98%): Toxic if swallowed [Danger Acute toxicity, oral]H311 (93.1%): Toxic in contact with skin [Danger Acute toxicity, dermal]H318 (45.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H331 (93.1%): Toxic if inhaled [Danger Acute toxicity, inhalation]P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P316, P317, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 101 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Regulatorische InformationenStatus: Active Update: 10-12-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/30192Mandelonitrile: Does not have an individual approval but may be used under an appropriate group standard
DOT-KennzeichnungPoison
BrandgefahrenThis chemical is combustible. (NTP, 1992)
GesundheitsgefahrenExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:TOXIC and/or CORROSIVEinhalation, ingestion or skin contact with material may cause severe injury or death. Methyl bromoacetate (UN2643) is an eye irritant/lachrymator (causes flow of tears). Contact with molten substance may cause severe burns to skin and eyes. Avoid any skin contact. Fire may produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause environmental contamination. (ERG, 2024)
GefahrenübersichtMortality and corneal opacity observed immediately following application to the eye of a rabbit[EPA - TSCATS] A severe eye irritantCauses spastic paralysis and respiratory depression in subcutaneous lethal-dose studies of rabbits and frogs

Anwendungen & Verwendung

Verwenden

As a food flavoring agent, this preparation is abandoned in most countries, and replaced with dilutions of Benzaldehyde.

Intravenous LD50 (mouse) = 5.6 mg/kg
[RTECS] An irritant that may cause serious eye injury
Toxic by ingestion
[Alfa Aesar MSDS] See NITRILES. See m-Phthalodinitrile.
Reaktive GruppeAlcohols and PolyolsNitriles
Reactivity ProfileNitriles, such as ALPHA-HYDROXYBENZENEACETONITRILE, may polymerize in the presence of metals and some metal compounds. They are incompatible with acidsmixing nitriles with strong oxidizing acids can lead to extremely violent reactions. Nitriles are generally incompatible with other oxidizing agents such as peroxides and epoxides. The combination of bases and nitriles can produce hydrogen cyanide. Nitriles are hydrolyzed in both aqueous acid and base to give carboxylic acids (or salts of carboxylic acids). These reactions generate heat. Peroxides convert nitriles to amides. Nitriles can react vigorously with reducing agents. Acetonitrile and propionitrile are soluble in water, but nitriles higher than propionitrile have low aqueous solubility. They are also insoluble in aqueous acids.
Air and Water ReactionsThis compound is sensitive to moisture. (NTP, 1992). Insoluble in water.
Hazard Classes and CategoriesAcute Tox. 3 (98%)Acute Tox. 3 (93.1%)Eye Dam. 1 (45.5%)
BrandbekämpfungFires involving this compound should be controlled using a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
Erste HilfeEYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. IMMEDIATELY call a hospital or poison control center even if no symptoms (such as redness or irritation) develop. IMMEDIATELY transport the victim to a hospital for treatment after washing the affected areas.INHALATION: IMMEDIATELY leave the contaminated areatake deep breaths of fresh air. IMMEDIATELY call a physician and be prepared to transport the victim to a hospital even if no symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be usedif not available, use a level of protection greater than or equal to that advised under Protective Clothing.INGESTION: If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. Generally, the induction of vomiting is NOT recommended outside of a physician's care due to the risk of aspirating the chemical into the victim's lungs. However, if the victim is conscious and not convulsing and if medical help is not readily available, consider the risk of inducing vomiting because of the high toxicity of the chemical ingested. Ipecac syrup or salt water may be used in such an emergency. IMMEDIATELY transport the victim to a hospital. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. IMMEDIATELY transport the victim to a hospital. (NTP, 1992)
Expositionsschutz und Persönliche SchutzausrüstungTIH (Toxic Inhalation Hazard) - Term used to describe gases and volatile liquids that are toxic when inhaled. Some are TIH materials themselves, e.g., chlorine, and some release TIH gases when spilled in water, e.g., chlorosilanes. [ERG 2016].
Freisetung ohne BrandSMALL SPILLS AND LEAKAGE: If you spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION. Then, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.STORAGE PRECAUTIONS: You should keep this material in a tightly closed container under an inert atmosphere, and store it at refrigerated temperatures. STORE AWAY FROM SOURCES OF IGNITION. (NTP, 1992)
Isolation and EvacuationExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:IMMEDIATE PRECAUTIONARY MEASURE: Isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids.SPILL: Increase the immediate precautionary measure distance, in the downwind direction, as necessary.FIRE: If tank, rail tank car or highway tank is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directionsalso, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2024)
Personal Protective Equipment (PPE)MINIMUM PROTECTIVE CLOTHING: If Tyvek-type disposable protective clothing is not worn during handling of this chemical, wear disposable Tyvek-type sleeves taped to your gloves.RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with a combination filter cartridge, i.e. organic vapor/acid gas/HEPA (specific for organic vapors, HCl, acid gas, SO2 and a high efficiency particulate filter). Splash proof safety goggles should be worn while handling this chemical. Alternatively, a full face respirator, equipped as above, may be used to provide simultaneous eye and respiratory protection. (NTP, 1992)
TreatmentAntidotes to cyanide poisoning include hydroxocobalamin and sodium nitrite, which release the cyanide from the cytochrome system, and rhodanase, which is an enzyme occurring naturally in mammals that combines serum cyanide with thiosulfate, producing comparatively harmless thiocyanate. Oxygen therapy can also be administered. (L97)
Gesundheitliche AuswirkungenExposure to high levels of cyanide for a short time harms the brain and heart and can even cause coma, seizures, apnea, cardiac arrest and death. Chronic inhalation of cyanide causes breathing difficulties, chest pain, vomiting, blood changes, headaches, and enlargement of the thyroid gland. Skin contact with cyanide salts can irritate and produce sores. (L96, L97)
Unerwünschte WirkungenOther Poison - Chemical Asphyxiant
ExpositionspfadeOral (L96)inhalation (L96)dermal (L96)
ToxizitätsübersichtOrganic nitriles decompose into cyanide ions both in vivo and in vitro. Consequently the primary mechanism of toxicity for organic nitriles is their production of toxic cyanide ions or hydrogen cyanide. Cyanide is an inhibitor of cytochrome c oxidase in the fourth complex of the electron transport chain (found in the membrane of the mitochondria of eukaryotic cells). It complexes with the ferric iron atom in this enzyme. The binding of cyanide to this cytochrome prevents transport of electrons from cytochrome c oxidase to oxygen. As a result, the electron transport chain is disrupted and the cell can no longer aerobically produce ATP for energy. Tissues that mainly depend on aerobic respiration, such as the central nervous system and the heart, are particularly affected. Cyanide is also known produce some of its toxic effects by binding to catalase, glutathione peroxidase, methemoglobin, hydroxocobalamin, phosphatase, tyrosinase, ascorbic acid oxidase, xanthine oxidase, succinic dehydrogenase, and Cu/Zn superoxide dismutase. Cyanide binds to the ferric ion of methemoglobin to form inactive cyanmethemoglobin. (L97)
Signs and SymptomsCyanide poisoning is identified by rapid, deep breathing and shortness of breath, general weakness, giddiness, headaches, vertigo, confusion, convulsions/seizures and eventually loss of consciousness. (L96, L97)
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).