CAS 30727-14-1 1-Ethyl-3-pyrrolidinol (HCID 98203)

Names & identifiers

Preferred name: 1-Ethyl-3-pyrrolidinol
IUPAC: 1-ethylpyrrolidin-3-ol
English name: 1-Ethyl-3-pyrrolidinol
Molecular formula: C6H13NO
Molecular weight: 115.17

Names & synonyms

1-Ethyl-3-pyrrolidinol30727-14-13-Pyrrolidinol, 1-ethyl-NSC 88610EINECS 250-310-7BRN 01029635-21-01-00016 (Beilstein Handbook Reference)RefChem:75750IDBNECMSCRAUNU-UHFFFAOYSA-N1-Ethylpyrrolidin-3-ol1-Ethyl-3-hydroxypyrrolidineMFCD00003179

Show more names

EthylpyrrolidinolN- Ethyl-3-pyrrolidinol1-Ethyl-3-pyrrolidinol>1-ETHYL-3-PYRROLIDINOL 95+%

NSC886101-ethyl-3-pyrrolidino1-ethyl-pyrrolidin-3-oln-ethyl-3-hydroxypyrrolidineWLN: T5NTJ A2 CQSCHEMBL347327SCHEMBL1406575SCHEMBL2882018

Database identifiers

CAS: 30727-14-1
PubChem CID: 98203
DTXSID: DTXSID001314369
EC Number: 250-310-7
Nikkaji: J3.804K

Properties

Computed structural properties

XLogP: 0.1
Topological polar surface area: 23.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 8
Formal charge: 0
Complexity: 74.9

Physicochemical properties

Boiling point: 59 · 59-61 °C1 mm Hg(lit.)
Density: 0.967 g/mL · 0.967 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.467(lit.)
Flash point: 165 °F · 165 °F
storage temp.: Sealed in dry,Room Temperature
form: clear liquid
pka: 14.83 · 14.83±0.20(Predicted)
color: Colorless to Brown
InChI: 1S/C6H13NO/c1-2-7-4-3-6(8)5-7/h6,8H,2-5H2,1H3
InChIKey: IDBNECMSCRAUNU-UHFFFAOYSA-N
SMILES: CCN1CCC(O)C1
CAS DataBase Reference: 30727 · 30727-14-1(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
UNSPSC Code: 12352100 · 12352100
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 227 · H227-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338-P210-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P370+P378-P403+P235-P501
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
WGK Germany: 3 · 3
RTECS: 5685500 · UY5685500
HS Code: 2933998090 · 2933998090
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Toxicity: 50 · mouse,LD50,intravenous,180mg/kg (180mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02177,

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 50 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
rtecs: UY5685500
hs_code: 2933998090
Toxicity: mouse,LD50,intravenous,180mg/kg (180mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02177,
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36/37/39
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H227-H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P305+P351+P338-P210-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P370+P378-P403+P235-P501