2-Methylpiperidine (HCID 7974)

Overview

2-Methylpiperidine is a member of piperidines.

Names & identifiers

Preferred name: 2-Methylpiperidine
IUPAC: 2-methylpiperidine
English name: 2-Methylpiperidine
Molecular formula: C6H13N
Molecular weight: 99.17

Names & synonyms

2-METHYLPIPERIDINE109-05-72-PipecolinePiperidine, 2-methyl-alpha-Pipecolinealpha-MethylpiperidineNSC-3104722E509663BFEMA NO. 4244DTXSID90861728RefChem:88370DTXCID30810614

Show more names

2PPCD-A-PIPECOLINEPipecoline,98%2-METHYL-PERIDINEAKOS BBS-00003594

203-642-1Pipicolinealpha-PipecolinPIPECOLINE, ALPHA2-Methyl-piperidine.alpha.-Methylpiperidine.alpha.-Pipecolin.alpha.-Pipecoline

Database identifiers

CAS: 109-05-7
PubChem CID: 7974
DTXSID: DTXSID90861728
ChEMBL: CHEMBL21454
ChEBI: CHEBI:186840
UNII: 22E509663B
EC Number: 203-642-1
Nikkaji: J5.086E

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

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

Density0.838-0.844

Flavoring AgentsEU Flavoring substances

Solubility · 2 items

Soluble in water

Soluble (in ethanol)

Boiling Point · 2 items

117.00 to 119.00 °C. @ 760.00 mm Hg

118 °C

Refractive Index1.442-1.448

Physicochemical properties

Melting point: -4 · -4--5 °C
Boiling point: 118 · 118-119 °C/753 mmHg (lit.)
Density: 0.844 g/mL · 0.844 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.446(lit.)
FEMA: 4244 · 4244 | 2-METHYLPIPERIDINE
FLAVIS Number: 14.133 · 14.133 | 2-Methylpiperidine
Flash point: 47 °F · 47 °F
storage temp.: Flammables area
form: Liquid
pka: 1 · pK1:10.95(+1) (25°C)
color: Clear yellow
PH: 12 · 12-13 (111g/l, H2O)
Odor: 1 % · at 1.00 % in propylene glycol. amine fishy seafood taco corn chip
Odor Type: ammoniacal
biological source: synthetic
Water Solubility: soluble
JECFA Number: 1608 · 1608
BRN: 79804 · 79804
InChI: 1S/C6H13N/c1-6-4-2-3-5-7-6/h6-7H,2-5H2,1H3
InChIKey: NNWUEBIEOFQMSS-UHFFFAOYSA-N
SMILES: CC1CCCCN1
LogP: 1.42 · 1.42
CAS DataBase Reference: 109 · 109-05-7(CAS DataBase Reference)
Substances Added to Food (formerly EAFUS): 2 · 2-METHYLPIPERIDINE
EWG's Food Scores: 1 · 1
FDA UNII: 22 E509663B · 22E509663B
NIST Chemistry Reference: 2 · 2-Methylpiperidine(109-05-7)
EPA Substance Registry System: 2 · Piperidine, 2-methyl- (109-05-7)
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
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: F,Xn
Risk Statements: 11 · 11-36/37/38-34-22-41-37/38
Safety Statements: 16 · 16-26-39-45-36/37/39
RIDADR: 1993 · UN 1993 3/PG 2
WGK Germany: 3 · 3
RTECS: 1240000 · TN1240000
TSCA: TSCA listed
HazardClass: 3 · 3
PackingGroup: II
HS Code: 29333999 · 29333999
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 3 DermalAcute · Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 4 OralEye Dam. 1Flam. Liq. 2Skin Corr. 1B
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, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P332+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 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 3 items

Chemical: Piperidine, 2-methyl-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

Piperidine, 2-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesFlam. Liq. 2 (100%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
rtecs: TN1240000
ridadr: UN 1993 3/PG 2
hs_code: 29333999
risk_code: 11-36/37/38-34-22-41-37/38
Signal word: Danger
Symbol(GHS): GHS02,GHS05
hazard_code: F,Xn
safety_code: 16-26-39-45-36/37/39
hazard_class: 3
Storage Class: 3 - Flammable liquids
packing_group: II
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: Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 4 OralEye Dam. 1Flam. Liq. 2Skin Corr. 1B
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

Pharmacology

Cellular LocationsCytoplasm

Uses & manufacturing

Use Classification · 3 items

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing InformationPiperidine, 2-methyl-: ACTIVE

Applications · 2 items

Uses2-Methylpiperidine, is used for the oxidation of secondary amines to nitrones by means of H2O2 catalyzed by Sodium tungsten oxide dihydrate.

UsesReactant for C-2 arylation of piperidines through directed transition metal-catalyzed sp3 C-H activationReactant for synthesis of:Azepan-4-ones via two step [5+2] annulation2-AminobenzoxazolesUnsymmetrically substituted ureasCorticotropin-releasing factor receptor type 1 antagonistsGefitinib analogues with anti-tumor activity