Basic information
- CAS
31551-28-7- Standard SMILES
CC/C=C(\C)C#N- InChIKey
MLPZAALXVQOBFB-GQCTYLIASA-N- Molecular formula
- C6H9N
- Average molar mass
- 95.14 g/mol
- Monoisotopic mass
- 95.07349929
Names & identifiers
- Preferred name
- cis-2-Methyl-2-pentenenitrile
- IUPAC
- (E)-2-methylpent-2-enenitrile
- English name
- (E)-2-methylpent-2-enenitrile
- Molecular formula
- C6H9N
- Molecular weight
- 95.14
Names & synonyms
(E)-2-Methylpent-2-enenitrile2-Pentenenitrile, 2-methyl-, (2E)-31551-28-7(E)-2-Methyl-2-pentenenitrileU4SHU6UFHXHSDB 61632-Pentenenitrile, 2-methyl-, (E)-CIS-2-METHYL-2-PENTENENITRILE(2E)-2-methyl-2-pentenenitrileEINECS 250-694-62-Pentenenitrile, 2-methyl, (E)-trans-alpha-Methyl-beta-ethylacrylonitrile
Show more names
DTXSID90885505(2E)-2-CYANOPENT-2-ENE2-METHYL-2-PENTENENITRILE, (E)-2-METHYL-2-PENTENENITRILE, (2E)-(E)-2-METHYL-2-PENTENENITRILE [HSDB]TRANS-.ALPHA.-METHYL-.BETA.-ETHYLACRYLONITRILERefChem:577316(E)2Methyl2pentenenitrile
Database identifiers
- CAS
31551-28-7- PubChem CID
- 5352201
- DTXSID
DTXSID90885505- UNII
- U4SHU6UFHX
- EC Number
- 250-694-6
- Nikkaji
- J278.142E
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 113
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Nitriles
LogPlog Kow= 0.4
Color/FormLiquid
Boiling Point153 °C.
Vapor Pressure4.0 [mmHg]
Physical DescriptionLiquid; [HSDB]
Physicochemical properties
- Boiling point
- 153 °C · 153 °C
- Density
- 0.82802 g/cm3 · 0.82802 g/cm3
- FDA UNII
- 4 SHU6UFHX · U4SHU6UFHX
- EPA Substance Registry System
- 2 · 2-Pentenenitrile, 2-methyl-, (2E)- (31551-28-7)
- Symbol(GHS)
- 2 · GHS02
- Signal word
- Warning
- Hazard statements
- 226 · H226
- TSCA
- TSCA listed
- Hazardous Substances Data
- 31551 · 31551-28-7(Hazardous Substances Data)
- REACH Registrations
- Active
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 2-Pentenenitrile, 2-methyl-, (E)-
REACH registered substance: (E)-2-methylpent-2-enenitrile (EC: 250-694-6)
Hazards SummaryEmergency treatment: Acetonitrile; Acetonitrile can cause delayed onset (2-13 hours) cyanide poisoning; [HSDB] See NITRILES.
Special Reports
ITC/USEPA; Information Review #332B (Draft) Alkenenitriles (1983)
Kaplita PV and Smith RP; Toxicol Appl Pharmacol 84 (3): 533-540 (1986). Pathways for the bioactivation of aliphatic nitriles to free cyanide in mice.
Flammable LimitsExtremely flammable liquid /cis-2-methyl-2-butenenitrile/
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Hazardous Reactivities and IncompatibilitiesIncompatible with strong alkalies /cis-2-methyl-butenenitrile/.
Toxicology
Environmental FateAQUATIC FATE: This compound is expected to partition to air and water where degradation by hydroxyl radical oxidation, hydrolysis and biodegradation would result.
Adverse EffectsOther Poison - Chemical Asphyxiant
Environmental BiodegradationThis compound is expected to biodegrade ... however there are no data on rates.
Environmental BioconcentrationBased upon its octanol/water partition coefficient, this compound should not bioaccumulate.
Environmental Abiotic Degradation
Under environmental conditions, the nitrile /group/ should undergo slow hydrolysis to give the corresponding carboxylic acid derivatives.
This compound should undergo hydroxyl radical oxidation reaction with half-life on the order of days to weeks.
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS02
- Hazard statements
- H226
- REACH Registrations
- Active
- Hazardous Substances Data
- 31551-28-7(Hazardous Substances Data)
Chemistry & industry
Pharmacology
Metabolism/MetabolitesCis-2 methyl-2-pentenenitrile ... as /an/ alkyl-substituted methacrylonitrile, may release cyanide following absorption.
Uses & manufacturing
Uses
No known commercial use in the US; [HSDB]
NO EVIDENCE OF COMMERCIAL USE IN USA
U.S. Production
Approximately 3,000 lb
(1979) NOT PRODUCED COMMERCIALLY IN USA
(1981) NOT PRODUCED COMMERCIALLY IN USA
Methods of ManufacturingVAPOR PHASE AMMOXIDATION OF 2-METHYL-2-PENTENE WITH AMMONIA
General Manufacturing Information2-Pentenenitrile, 2-methyl-, (2E)-: INACTIVE
Suppliers1 total
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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