2-Methylpentanedinitrile｜Huagongshe

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HCID 20686Erstellt: 26. Oktober 2026

2-Methylpentanedinitrile

methyl-Pentanedinitrile

https://huagongshe.com/de/chemical/20686

Molekülstruktur von 2-Methylpentanedinitrile

Identifikatoren & physikalische Daten

CAS No.	28906-50-5
Summenformel	C6H8N2
Durchschnittliche Molmasse	108,14 g/mol
Monoisotopische Masse	108,06874826 g/mol
SMILES	CC(C#N)CCC#N
InChIKey	FPPLREPCQJZDAQ-UHFFFAOYSA-N
PubChem CID	20686
ChEMBL	CHEMBL1414319
ChEBI	CHEBI:229318
EC No.	224-923-5
DTXSID	DTXSID4025612

Chemische & physikalische Eigenschaften

XLogP	0,5
Polarare Oberfläche (TPSA)	47,6
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	2
Schwere Atome	8
Formalladung	0
Komplexität	142
Stoffklassen	Nitrogen Compounds -> Nitriles
Dichte	0.95 at 68 °F (NTP, 1992) - Less dense than waterwill float
Color/Form	Liquid at ambient temperatures.
Löslichkeit	10 to 50 mg/mL at 70.7 °F (NTP, 1992)
Flammpunkt	259 °F (NTP, 1992)98 °C
Siedepunkt	257 to 266 °F at 10 mmHg (NTP, 1992)
Dampfdruck	0.0051 [mmHg]0.0051 mm Hg at 25 °C
Physical Description	D,l-2-methylglutaronitrile is an amber liquid. (NTP, 1992)A colorless, odorless liquid[ChemIDplus] Amber liquid[CAMEO] Deep brown clear liquid[MSDSonline]
EPA chemische Informationen	Methyl glutaronitrile (28906-50-5)

Sicherheit & Vorschriften

GHS-Einstufung	DangerH301+H311 (97.1%): Toxic if swallowed or in contact with skin [Danger Acute toxicity, oralacute toxicity, dermal]P260, P262, P264, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P316, P320, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 69 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatorische Informationen	Pentanedinitrile, 2-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Pentanedinitrile, 2-methyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 20-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/11827
DOT-Kennzeichnung	Poison
Brandgefahren	This compound is combustible. (NTP, 1992)
Gesundheitsgefahren	ACUTE/CHRONIC HAZARDS: This compound is readily absorbed through the skin. (NTP, 1992)
Gefahrenübersicht	Emergency treatment: AcetonitrileCan cause delayed onset (2-13 hours) cyanide poisoning[HSDB] Causes convulsions at lethal doses[RTECS] An irritantToxic by ingestion, inhalation, and skin absorption[Aldrich MSDS] See NITRILES.
Reaktive Gruppe	Nitriles
Reactivity Profile	Nitriles, such as D,L-2-METHYLGLUTARONITRILE, 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.

Erste Hilfe

EYES: 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.

Freisetung ohne Brand

SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, you should dampen the solid spill material with alcohol, then transfer the dampened material to a suitable container. Use absorbent paper dampened with alcohol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with alcohol followed by washing with a strong soap and water solution. Do not reenter the contaminate area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Personal Protective Equipment (PPE)	RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

Umweltverhalten

TERRESTRIAL FATE: Based on expected slow hydrolysis(2) of 2-methylpentanedinitrile in water, hydrolysis may be unimportant in soil. The log Koc of 1.03 estimated from log Kow(1,4) indicates that 2-methylpentanedinitrile should be very mobile in soil(3,SRC). The vapor pressure of 0.0051 mm Hg at 25 °C(5) suggests volatilization from soil may not be rapid(SRC).AQUATIC FATE: Based on hydrolysis rates of a monosubstituted organic nitrile, hydrolysis of 2-methylpentanedinitrile may not be important in environmental waters(2,SRC). From the estimated Henry's Law constant(4) and an estimation method(1), the volatilization half-life of 2-methylpentanedinitrile from a model river has been estimated to be 1259 days(1,SRC). Therefore, volatilization from water should not be important. The estimated log Koc of 1.03(1) indicates that adsorption of 2-methylpentanedinitrile to suspended solids and sediments in water should not be important(3). The estimated bioconcentration factor of 0.2(1) suggests that bioconcentration of 2-methylpentanedinitrile in aquatic organisms should be unimportant(SRC).ATMOSPHERIC FATE: Based on a vapor pressure of 0.0051 mm of Hg(4), 2-methylpentanedinitrile should be found predominantly in the vapor phase in the atmosphere(3,SRC). In the atmosphere, vapor phase 2-methylpentanedinitrile should react with photochemically produced hydroxyl radicals. Based on an estimation method(1), the rate constant for the reaction of 2-methylpentanedinitrile with hydroxyl radicals has been estimated to be 1.208X10-12 cu-cm/molecule-sec(1). Assuming the daily average concn of hydroxyl radicals in the atmosphere as 5X10+5/cu-cm(2), the half-life for this reaction has been estimated to be 13.3 days. Based on a high water solubility estimated from log Kow(5) and a regression equation(6), the removal of atmospheric 2-methylpentanedinitrile by wet deposition should be important(SRC).

Soil Adsorption/Mobility	Based on an estimated log Kow value of -0.644(1) and a regression equation(2), a log Koc value of 1.03 has been estimated for 2-methylpentanedinitrile. This value indicates that 2-methylpentanedinitrile should be highly mobile in soil(3) and the adsorption of 2-methylpentanedinitrile to suspended solids and sediments in water should be unimportant(SRC).

Artificial Pollution Sources	2-Methylpentanedinitrile is produced as a by-product during the production of adiponitrile(1). Therefore, release of 2-methylpentanedinitrile to the environment may occur during the production of adiponitrile. Since 2-methylpentanedinitrile is used as a solvent and intermediate for the manufacture of other chemicals(2), environmental release may occur during these uses(SRC).

Environmental Bioconcentration	Based on an estimated log Kow of -0.644(2) and a regression equation(1), the bioconcentration factor for 2-methylpentanedinitrile has been estimated to be 0.2. Therefore, bioconcentration of 2-methylpentanedinitrile in aquatic organisms should not be important(3,SRC).

Volatilization from Water/Soil	A Henry's Law constant of 2.97X10-8 atm-cu m/mole has been estimated for 2-methylpentanedinitrile by the bond contribution method(1). Based on this value, the volatilization of 2-methylpentanedinitrile from a model river of depth 1 m, flowing at 1 m/sec and a wind speed of 3 m/sec has been estimated to be 1259 days(2,SRC). Therefore, volatilization should not be important in water(SRC).

Environmental Abiotic Degradation

Organic nitriles are generally susceptible to chemical hydrolysis under acid and basic conditionsbut based on very slow hydrolysis of cyano group in organic nitriles(2), the hydrolysis of 2-methylpentanedinitrile in water and moist soil should not be important. The rate constant for the reaction of vapor phase 2-methylpentanedinitrile with hydroxyl radicals has been estimated to be 1.208X10-12 cu-cm/molecule-sec by an estimation method(3,SRC). Assuming the daily average concn of hydroxyl radicals in the atmosphere of 5X10+5/cu-cm(4), the half-life for this reaction has been estimated to be 13.3 days(SRC).

Probable Routes of Human Exposure

Since 2-methylpentanedinitrile is a liquid at ambient temperatures with low vapor pressure, dermal exposure to this compound may be the most probable route of exposure during its use as solvent and intermediate in the production of other compounds(1,SRC).Workers using 2-methylpentanedinitrile as solvent and intermediate in the production of other chemicals(1) are the most likely people for exposure to this compound(SRC).

Environmental Fate/Exposure Summary

2-Methylpentanedinitrile may be released to the environment is expected to occur during its industrial production and use as a solvent and intermediate for the production of other compounds. 2-Methylpentanedinitrile may also be released to the environment as a byproduct during adiponitrile production. Hydrolysis of 2-methylpentanedinitrile in water and soil may not be important, although experimental data are unavailable. No biodegradation data on 2-methylpentanedinitrile are available. The low vapor pressure of the compound indicates volatilization from soil may not be important. The estimated Henry's Law constant suggests that volatilization of 2-methylpentanedinitrile from water should be negligible. Based upon an estimated Koc value, 2-methylpentanedinitrile may have very high mobility in soil and adsorption to suspended solids and sediments in water should not be important. The estimated low log BCF value indicates bioconcentration of 2-methylpentanedinitrile in aquatic organisms should be unimportant. 2-Methylpentanedinitrile should be present predominantly in the vapor phase in air. If present in the atmosphere in the vapor form, 2-methylpentanedinitrile should react with photochemically produced hydroxyl radicals with an estimated half-life of 13.3 days. Because of its high water solubility, the removal of 2-methylpentanedinitrile from the atmosphere by wet deposition may be important. Workers using 2-methylpentanedinitrile during the production and use of the compound are the most likely people for exposure to 2-methylpentanedinitrile at ambient temperaturesdermal exposure is the most likely route of exposure to 2-methylpentanedinitrile. (SRC)