CAS 35794-11-7 3,5-Dimethylpiperidine (HCID 118259)

Names & identifiers

Preferred name: 3,5-Dimethylpiperidine
IUPAC: 3,5-dimethylpiperidine
English name: 3,5-Dimethylpiperidine
Molecular formula: C7H15N
Molecular weight: 113.2

Names & synonyms

3,5-DimethylpiperidinePiperidine, 3,5-dimethyl-EINECS 252-730-6DTXSID80865790RefChem:91614DTXCID30814157252-730-6IDWRJRPUIXRFRX-UHFFFAOYSA-N35794-11-73,5-LupetidineMFCD00005996trans-3,5-dimethylpiperidine

Show more names

35LPT3,5-LupeptidineAKOS BBS-00003678DIMETHYLPIPERIDINE3,5-Dimethylpiperidi3,5-dimethyl-piperidinHEXAHYDRO-3,5-LUTIDINE

3alpha,5beta-Dimethylpiperidine3,5-Dimethylpiperidine, cis and trans32452-46-3piperidine, 3,5-dimethyl-, (3R,5R)-rel-(3R,5R)-3,5-dimethylpiperidine3,5-Dimethylpiperidine, cis + trans3,5-dimethylpiperdine3,5 dimethylpiperidine

Database identifiers

CAS: 35794-11-7
PubChem CID: 118259
DTXSID: DTXSID80865790
EC Number: 252-730-6
Nikkaji: J39.740G

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 12 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 8
Formal charge: 0
Complexity: 62.8

Experimental & physicochemical properties

Physical DescriptionLiquid

Physicochemical properties

Boiling point: 144 °C · 144 °C(lit.)
Density: 0.853 g/mL · 0.853 g/mL at 25 °C(lit.)
vapor pressure: 6.47 hPa · 6.47hPa at 25℃
refractive index: 20 · n20/D 1.4454(lit.)
Flash point: 91 °F · 91 °F
storage temp.: 2 · Keep in dark place,Inert atmosphere,2-8°C
form: Liquid
pka: 10.52 · 10.52±0.10(Predicted)
color: Clear colorless to light yellow
BRN: 102638 · 102638
InChI: InChI=1S/C7H15N/c1-6-3-7(2)5-8-4-6/h6-8H,3-5H2,1-2H3
InChIKey: IDWRJRPUIXRFRX-UHFFFAOYSA-N
SMILES: N1CC(C)CC(C)C1
LogP: 2.02 · 2.02
CAS DataBase Reference: 35794 · 35794-11-7(CAS DataBase Reference)
NIST Chemistry Reference: 3 · Piperidine, 3,5-dimethyl-(35794-11-7)
EPA Substance Registry System: 3 · Piperidine, 3,5-dimethyl- (35794-11-7)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02,GHS07
Signal word: Warning
Hazard statements: 226 · H226-H315-H319-H335
Precautionary statements: 210 · P210-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi,F
Risk Statements: 10 · 10-36/37/38
Safety Statements: 16 · 16-26-36/37/39-37/39-36
RIDADR: 1993 · UN 1993 3/PG 3
WGK Germany: 3 · 3
TSCA: TSCA listed
HazardClass: 3 · 3
PackingGroup: III
HS Code: 29339900 · 29339900
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 2 Flam · Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
REACH Registrations: Active
Limited Quantities: 5 L · 5.0 L (1.3 gallons) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

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

Aggregated GHS information provided per 52 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Piperidine, 3,5-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Piperidine, 3,5-dimethyl- 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: 26-07-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/20777

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
ridadr: UN 1993 3/PG 3
hs_code: 29339900
risk_code: 10-36/37/38
Signal word: Warning
Symbol(GHS): GHS02,GHS07
hazard_code: Xi,F
safety_code: 16-26-36/37/39-37/39-36
hazard_class: 3
Storage Class: 3 - Flammable liquids
packing_group: III
target organs: Respiratory system
Hazard statements: H226-H315-H319-H335
Limited Quantities: 5.0 L (1.3 gallons) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
REACH Registrations: Active
Hazard Classifications: Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
Precautionary statements: P210-P302+P352-P305+P351+P338

Chemistry & industry

Uses & manufacturing

U.S. Production2023: 1,000,000 - <8,500,000 lb

Industry UsesIntermediate

General Manufacturing Information · 2 items

Pharmaceutical and Medicine Manufacturing

Piperidine, 3,5-dimethyl-: ACTIVE

Applications · 2 items

UsesReactant for synthesis of: Substituted bisphenol A derivatives as β-amyloid peptide aggregation inhibitors1 MMP-13 selective isonipecotamide α-sulfone hydroxamates2 Gem-diamines for active organocatalysts for biodiesel production3 Benzimidazole inhibitors of the antigen receptor-mediated NF-κB4 Reactant for Mannich reactions to form Ru(II) complexes5

UsesReactant for synthesis of: Substituted bisphenol A derivatives as β-amyloid peptide aggregation inhibitors MMP-13 selective isonipecotamide α-sulfone hydroxamates Gem-diamines for active organocatalysts for biodiesel production Benzimidazole inhibitors of the antigen receptor-mediated NF-κB Reactant for Mannich reactions to form Ru(II) complexes