N-Piperidinoethanol (HCID 18232)

Overview

2-(piperidin-1-yl)ethanol is a member of the class of piperidine in which the hydrogen attached to the nitrogen atom is substituted by a 2-hydroxyethyl group. It is a primary alcohol, a member of ethanolamines, a member of piperidines and a tertiary amino compound.

Names & identifiers

Preferred name: N-Piperidinoethanol
IUPAC: 2-piperidin-1-ylethanol
English name: 2-Piperidinoethanol
Molecular formula: C7H15NO
Molecular weight: 129.2

Names & synonyms

3040-44-62-Piperidinoethanol1-(2-Hydroxyethyl)piperidine1-PIPERIDINEETHANOLN-PiperidinoethanolN-Piperidineethanolbeta-Piperidinoethanol.beta.-PiperidinoethanolNSC 3460EINECS 221-244-6VR81F07RX51-Oxa-4-azaspiro(3.5)nonane (VAN)

Show more names

PPOHAKOS BBS-00004365PIPERIDINOETHANOLBUTTPARK 154\16-412-PIPERIDINETHANOLβ-Piperidylethanol

BRN 0103390AI3-11737NSC-34605-20-02-00101 (Beilstein Handbook Reference)DTXSID40628081-Oxa-4-azaspiro(3.5)nonane1-Oxa-4-azaspiro[3.5]nonaneRefChem:831031

Database identifiers

CAS: 3040-44-6
PubChem CID: 18232
DTXSID: DTXSID4062808
ChEMBL: CHEMBL118227
ChEBI: CHEBI:61238
UNII: VR81F07RX5
EC Number: 221-244-6
Nikkaji: J205.348I

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 23.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 9
Formal charge: 0
Complexity: 69.3

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

Physical DescriptionLiquid

Physicochemical properties

Melting point: 16 °C · 16°C
Boiling point: 199 · 199-202 °C (lit.)
Density: 0.973 g/mL · 0.973 g/mL at 25 °C (lit.)
vapor pressure: 1.3 hPa · 1.3 hPa @ 40°C
refractive index: 20 · n20/D 1.4804(lit.)
Flash point: 156 °F · 156 °F
storage temp.: Inert atmosphere,Room Temperature
solubility: Chloroform, Methanol (Slightly)
form: Liquid
pka: 15 · 15.00±0.10(Predicted)
Specific Gravity: 0.98 · 0.98
color: Clear slightly brown
explosive limit: 1.2 · 1.2-7.2
BRN: 103390 · 103390
Henry's Law Constant: 5.1 · 5.1×101 mol/(m3Pa) at 25℃, Du et al. (2017)
InChI: 1S/C7H15NO/c9-7-6-8-4-2-1-3-5-8/h9H,1-7H2
InChIKey: KZTWONRVIPPDKH-UHFFFAOYSA-N
SMILES: OCCN1CCCCC1
LogP: 0.62 at · 0.62 at 25℃
CAS DataBase Reference: 3040 · 3040-44-6(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 81 F07RX5 · VR81F07RX5
NIST Chemistry Reference: 1 · 1-Piperidineethanol(3040-44-6)
EPA Substance Registry System: 1 · 1-Piperidineethanol (3040-44-6)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 301 · P301+P312+P330
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xn
Risk Statements: 22 · 22-36/37/38
Safety Statements: 36 · 36/37/39
RIDADR: 2735 · UN2735
WGK Germany: 3 · 3
RTECS: 8052000 · TM8052000
Autoignition Temperature: 240 · 240
TSCA: TSCA listed
HazardClass: 8 · 8
PackingGroup: III
HS Code: 29333999 · 29333999
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 4 Oral · Acute Tox. 4 Oral
Toxicity: 250 mg/kg · cat,LDLo,oral,250mg/kg (250mg/kg),BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD,Journal of Pharmacology and Experimental Therapeutics. Vol. 55, Pg. 419, 1935.
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 6 items

Danger

H302+H312 (62.7%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oral; acute toxicity, dermal]

P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 166 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H227: Combustible liquid [Warning Flammable liquids]

Hazard information

Regulatory Information · 2 items

1-Piperidineethanol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Piperidineethanol 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: 30-05-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/26699

Hazard Classes and Categories · 2 items

Acute Tox. 4 (100%)

Flammable liquids - Category 4

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
rtecs: TM8052000
ridadr: UN2735
hs_code: 29333999
Toxicity: cat,LDLo,oral,250mg/kg (250mg/kg),BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD,Journal of Pharmacology and Experimental Therapeutics. Vol. 55, Pg. 419, 1935.
risk_code: 22-36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
safety_code: 36/37/39
hazard_class: 8
Storage Class: 10 - Combustible liquids
packing_group: III
Hazard statements: H302
REACH Registrations: Active
Hazard Classifications: Acute Tox. 4 Oral
Autoignition Temperature: 240
Precautionary statements: P301+P312+P330

Chemistry & industry

Uses & manufacturing

U.S. Production2023: <50,000 lb

Industry UsespH regulating agent

General Manufacturing Information · 2 items

Petroleum Lubricating Oil and Grease Manufacturing

1-Piperidineethanol: ACTIVE

Applications

Uses1-Piperidineethanol (cas# 3040-44-6) is a compound useful in organic synthesis.

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]

河北创海生物科技有限公司+86-86-13131129325 · [email protected]

Additional notes

DefinitionChEBI: A member of the class of piperidine in which the hydrogen attached to the nitrogen atom is substituted by a 2-hydroxyethyl group.