CAS 67004-64-2 1-Methyl-2-pyrrolidineethanol (HCID 93363)

Names & identifiers

Preferred name: 1-Methyl-2-pyrrolidineethanol
IUPAC: 2-(1-methylpyrrolidin-2-yl)ethanol
English name: 1-Methyl-2-pyrrolidineethanol
Molecular formula: C7H15NO
Molecular weight: 129.2

Names & synonyms

1-Methyl-2-pyrrolidineethanol67004-64-22-Pyrrolidineethanol, 1-methyl-UNII-46PY6SCZ39EINECS 266-538-546PY6SCZ392-(n-methylpyrrolidin-2-yl)ethanol2-(2-Hydroxyethyl)-N-methylpyrrolidineN-methyl-2-(2-hydroxyethyl)pyrrolidineRefChem:762481-METHYL-2-PYRROLIDINEETHANOL, (+-)-266-538-5

Show more names

2-(2-HYDROXYETHYL)-N-METHYL-PYRROLIDINEClemastine Impurity DClemastine EP Impurity DHYDROXYETHYLMETHYLPYRROLIDINE1-Methylpyrrolidine-2-EthanolN-METHYL-2-PYRROLIDINEETHANOL

FYVMBPXFPFAECB-UHFFFAOYSA-N2-(1-methylpyrrolidin-2-yl)ethanol1-Methyl-2-pyrrolidine ethanol2-(2-Hydroxyethyl)-1-methylpyrrolidineClemastine Impurity 42-(1-methylpyrrolidin-2-yl)ethan-1-olMFCD000031742-(1-Methyl-2-pyrrolidine)ethanol

Database identifiers

CAS: 67004-64-2
PubChem CID: 93363
DTXSID: DTXSID40985827
UNII: 46PY6SCZ39
EC Number: 266-538-5
Nikkaji: J149.938F、J25.984E、J25.985C

Properties

Computed structural properties

XLogP: 0.5
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: 85

Physicochemical properties

Boiling point: 110 · 110-112 °C14 mm Hg(lit.)
Density: 0.951 g/mL · 0.951 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.4713(lit.)
Flash point: 184 °F · 184 °F
storage temp.: 2 · 2-8°C(protect from light)
form: clear liquid
pka: 15.03 · 15.03±0.10(Predicted)
color: Colorless to Red to Green
InChI: InChI=1S/C7H15NO/c1-8-5-2-3-7(8)4-6-9/h7,9H,2-6H2,1H3
InChIKey: FYVMBPXFPFAECB-UHFFFAOYSA-N
SMILES: N1(C)CCCC1CCO
CAS DataBase Reference: 67004 · 67004-64-2(CAS DataBase Reference)
FDA UNII: 46 PY6SCZ39 · 46PY6SCZ39
UNSPSC Code: 41116107 · 41116107
NACRES: 24 · NA.24
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302-H315-H318
Precautionary statements: 264 · P264-P270-P280-P301+P312-P302+P352-P305+P351+P338
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xn
Risk Statements: 22 · 22-38-41
Safety Statements: 26 · 26-39
WGK Germany: 3 · 3
HS Code: 29339900 · 29339900
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P332+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (100%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
hs_code: 29339900
risk_code: 22-38-41
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: Xn
safety_code: 26-39
Storage Class: 10 - Combustible liquids
Hazard statements: H302-H315-H318
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2
Precautionary statements: P264-P270-P280-P301+P312-P302+P352-P305+P351+P338

Chemistry & industry

Applications

Uses2-(2-Hydroxyethyl)-1-methylpyrrolidine BP Reference standard, intended for use in laboratory tests only as specifically prescribed in the British Pharmacopoeia. Also used in monographs such as:Clemastine Tablets

General Description1-Methyl-2-pyrrolidine ethanol is an important pharmaceutical intermediate.