CAS 626-56-2 3-Methylpiperidine (HCID 79081)

Overview

3-methylpiperidine appears as a colorless liquid with a characteristic odor. Less dense than water. Contact may cause severe irritation to skin, eyes, and mucous membranes. Toxic by ingestion, inhalation and skin absorption.

Names & identifiers

Preferred name: 3-Methylpiperidine
IUPAC: 3-methylpiperidine
English name: 3-Methylpiperidine
Molecular formula: C6H13N
Molecular weight: 99.17

Names & synonyms

3-Methylpiperidine626-56-23-PipecolinePiperidine, 3-methyl-beta-Pipecolinebeta-MethylpiperidineDTXSID4029195FDI976OYASNSC-66494J11.560FDTXCID809195RefChem:94955

Show more names

3PPCBETA-PIPECOLIN3-PIPECOLINE 99.5%3-methyl-piperidin3-methylpepiridine3-pipercoline(beta-)

210-953-6.beta.-PipecolineMFCD00005994.beta.-Methylpiperidine3-Methyl-piperidine(+/-)-3-methylpiperidineUNII-FDI976OYAS(R)-(-)-3-Methyl-piperidine

Database identifiers

CAS: 626-56-2
PubChem CID: 79081
DTXSID: DTXSID4029195
ChEMBL: CHEMBL279512
UNII: FDI976OYAS
EC Number: 210-953-6
Nikkaji: J11.560F

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 12 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 7
Formal charge: 0
Complexity: 52.1

Experimental & physicochemical properties

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

Physical Description3-methylpiperidine appears as a colorless liquid with a characteristic odor. Less dense than water. Contact may cause severe irritation to skin, eyes, and mucous membranes. Toxic by ingestion, inhalation and skin absorption.

Physicochemical properties

Melting point: -24 °C · -24 °C
Boiling point: 125 · 125-126 °C/763 mmHg (lit.)
Density: 0.845 g/mL · 0.845 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.447(lit.)
Flash point: 63 °F · 63 °F
storage temp.: Flammables area
pka: 1 · pK1:11.07(+1) (25°C)
form: clear liquid
color: Colorless to Light yellow to Light orange
Water Solubility: miscible
BRN: 79807 · 79807
InChI: InChI=1S/C6H13N/c1-6-3-2-4-7-5-6/h6-7H,2-5H2,1H3
InChIKey: JEGMWWXJUXDNJN-UHFFFAOYSA-N
SMILES: CC1CNCCC1
CAS DataBase Reference: 626 · 626-56-2(CAS DataBase Reference)
FDA UNII: 976 OYAS · FDI976OYAS
NIST Chemistry Reference: 3 · Piperidine, 3-methyl-(626-56-2)
EPA Substance Registry System: 3 · Piperidine, 3-methyl- (626-56-2)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02,GHS05
Signal word: Danger
Hazard statements: 314 · H314-H225
Precautionary statements: 501 · P501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P403+P235-P405
target organs: Respiratory system
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: F,Xi
Risk Statements: 11 · 11-36/37/38
Safety Statements: 16 · 16-23-33-26-7/9
RIDADR: 1993 · UN 1993 3/PG 2
WGK Germany: 3 · 3
TSCA: TSCA listed
HazardClass: 3 · 3
PackingGroup: II
HS Code: 29333990 · 29333990
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 2 Flam · Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3
Limited Quantities: 1 L · 1.0 L (0.3 gallon) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationChemical: Piperidine, 3-methyl-

DOT LabelCorrosive Flammable Liquid

Fire HazardsExcerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:

Health HazardsExcerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:

Reactive GroupAmines, Phosphines, and Pyridines

Reactivity AlertsHighly Flammable

Safety & protection

Fire FightingExcerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:

First AidExcerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:

Nonfire Spill ResponseExcerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:

Isolation and EvacuationExcerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:

Personal Protective Equipment (PPE)Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
ridadr: UN 1993 3/PG 2
hs_code: 29333990
risk_code: 11-36/37/38
Signal word: Danger
Symbol(GHS): GHS02,GHS05
hazard_code: F,Xi
safety_code: 16-23-33-26-7/9
hazard_class: 3
Storage Class: 3 - Flammable liquids
packing_group: II
target organs: Respiratory system
Hazard statements: H314-H225
Limited Quantities: 1.0 L (0.3 gallon) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Hazard Classifications: Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P403+P235-P405

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationPiperidine, 3-methyl-: ACTIVE

Applications · 2 items

Uses3-Methylpiperidine, is used as a reactant for synthesis of Phenylpropenamide derivatives for anti-hepatitis B virus activity, CB2 receptor agonists for treatment of chronic pain, aurora kinase inhibitors, spiroimidazolidinone NPC1L1 inhibitors, 1,3,5-Oxadiazinones, selective serotonin 5-HT6 receptor antagonists. It is also used as a pharmaceutical intermediate and as a intermediate in organic synthesis.

General DescriptionA colorless liquid with a characteristic odor. Less dense than water. Flash point less than 141°F. Contact may cause severe irritation to skin, eyes, and mucous membranes. Toxic by ingestion, inhalation and skin absorption.