Basic information
- CAS
3445-11-2- Standard SMILES
O=C1CCCN1CCO- InChIKey
WDQFELCEOPFLCZ-UHFFFAOYSA-N- Molecular formula
- C6H11NO2
- Average molar mass
- 129.16 g/mol
- Monoisotopic mass
- 129.07897859
Names & identifiers
- Preferred name
- 1-(2-Hydroxyethyl)-2-pyrrolidinone
- IUPAC
- 1-(2-hydroxyethyl)pyrrolidin-2-one
- English name
- N-(2-Hydroxyethyl)-2-pyrrolidone
- Molecular formula
- C6H11NO2
- Molecular weight
- 129.16
Names & synonyms
1-(2-Hydroxyethyl)pyrrolidin-2-one1-(2-Hydroxyethyl)-2-pyrrolidone1-(2-Hydroxyethyl)-2-pyrrolidinone2-Pyrrolidinone, 1-(2-hydroxyethyl)-DTXSID7044922BRN 0112181297G099QOUEINECS 222-359-4UNII-297G099QOUDTXCID5024922WDQFELCEOPFLCZ-UHFFFAOYSA-N-(.BETA.-HYDROXYETHYL)-2-PYRROLIDONE
Show more names
N-HYDROXYETHYL PYRROLIDONEHEPENHEPEN HEP HEP HEXENHydroxyethylpyrrolidoneN-HYDROXYETHYL-2-PYRROLIDONE(2-hydroxyethyl)-2-pyrrolidon
2-(2-oxopyrrolidin-1-yl)ethanolN-(2-hydroxyethyl)-2-PyrrolidinoneN-(2-HYDROXYETHYL)PYRROLIDONE2-Pyrrolidinone, 1-(2-hydroxyethyl)1-(2-HYDROXYLETHYL)-2-PYRROLIDONE1-(2-HYDROXYETHYL)-2-OXOPYRROLIDINE1-(.BETA.-HYDROXYETHYL)-2-PYRROLIDONEEC 222-359-4
Database identifiers
- CAS
3445-11-2- PubChem CID
- 76980
- DTXSID
DTXSID7044922- ChEMBL
CHEMBL3185308- UNII
- 297G099QOU
- EC Number
- 222-359-4
- Nikkaji
- J26.035E
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 114
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Other Nitrogen Compounds
Physical DescriptionMelting point = 20 deg C; [ChemIDplus] Clear dark brown viscous liquid; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- 19 · 19-21°C
- Boiling point
- 140 · 140-142 °C/3 mmHg (lit.)
- Density
- 1.143 g/mL · 1.143 g/mL at 25 °C (lit.)
- vapor pressure
- 0.02 Pa · 0.02Pa at 20℃
- refractive index
- 20 · n20/D 1.496(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Sealed in dry,Room Temperature
- form
- powder to lump to clear liquid
- pka
- 14.49 · 14.49±0.10(Predicted)
- color
- White or Colorles to Yellow to Orange
- Water Solubility
- 1000 g/L · 1000g/L at 20℃
- BRN
- 112181 · 112181
- Stability
- Stable. Incompatible with strong oxidizing agents
- InChI
- 1S/C6H11NO2/c8-5-4-7-3-1-2-6(7)9/h8H,1-5H2
- InChIKey
- WDQFELCEOPFLCZ-UHFFFAOYSA-N
- SMILES
- OCCN1CCCC1=O
- LogP
- -1.03 at · -1.03 at 25℃
- CAS DataBase Reference
- 3445 · 3445-11-2(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 297 G099QOU · 297G099QOU
- NIST Chemistry Reference
- 2 · N-(2-Hydroxyethyl)-2-pyrrolidone(3445-11-2)
- EPA Substance Registry System
- 2 · 2-Pyrrolidinone, 1-(2-hydroxyethyl)- (3445-11-2)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 2 · 2
- RTECS
- 5776500 · UY5776500
- TSCA
- TSCA listed
- HS Code
- 2933.79 · 2933.79.8500
- HazardClass
- IRRITANT
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 82.2% (189 of 230) of all reports.
Warning
H315 (17.4%): 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 230 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 2-Pyrrolidinone, 1-(2-hydroxyethyl)-
Status: Active Update: 26-05-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/13179
2-Pyrrolidinone, 1-(2-hydroxyethyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryA mild eye irritant; [RTECS] A skin and strong eye irritant; [Sigma-Aldrich MSDS] See N-Ethyl-2-pyrrolidone and Methylpyrrolidinone.
Hazard Classes and CategoriesSkin Irrit. 2 (17.4%)
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- UY5776500
- hs_code
- 2933.79.8500
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- IRRITANT
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- REACH Registrations
- Active
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Uses & manufacturing
Uses
Used as an intermediate, laboratory reagent, in coatings, and agrochemicals; [ExPub: ECHA REACH Registrations]
Painting (Pigments, Binders, and Biocides) [Category: Paint]
General Manufacturing Information2-Pyrrolidinone, 1-(2-hydroxyethyl)-: ACTIVE
Applications
Uses1-(2-Hydroxyethyl)-2-pyrrolidone may be used in chemical synthesis.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
上海利卡斯实业有限公司19821976800 · [email protected]
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]
上海莉凯化工技术有限公司16628776521 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
湖北鑫杰成化工科技有限公司13554075426 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
南京圣亿来化工有限公司19951936396 · [email protected]
广东方信生物科技有限公司0751-2838688 13376594225 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
河北茹麒科技有限公司176-03256889 17603256889 · [email protected]
湖北微斯汀科技有限公司027-61182895 13367240285 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
Hebei Qige Biological Technology Co. Ltd+86 +8618733132031
广东元丰化学试剂有限公司0751-2829979 13376591640 · [email protected]
上海健超生物科技有限公司150-2103-5486 18017383231 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
天成化工(江苏)有限公司0512-66387919 18662433356 · [email protected]
北京环宇世纪化学科技有限公司hysj_bj.com
上海湄水化工科技有限公司021-60549325 18616193163
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
上海将来实业股份有限公司021-61552785 · [email protected]
安徽科迪达化工有限公司0554-2106669 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
陕西缔都医药化工有限公司+86-029-81138252 +86-173 9270 1263 · [email protected]
上海馨远医药科技有限公司021-24206007 13764915196 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
康迪斯化工（湖北）有限公司13125172151 · [email protected]
中山市迪欣化工有限公司0760-1893339-0325 18933390325
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
天津荣燊化工有限公司18317763565; 18317763565 · [email protected]
佛山市贝司化工有限公司19584229548 15218144393 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
中山市迪欣化工有限公司19849939632; 19849939632 · [email protected]
武汉峰耀同辉化学制品有限公司027-87466205 15377579727 · [email protected]
上海玻尔化学试剂有限公司19102157732 · [email protected]
迈奇化学股份有限公司15660870300 15737400781 · [email protected]
嘉兴市浙嘉生物科技有限公司0573-85609002 · [email protected]
成都润泽本土化工有限公司028-88469284 18000562381 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
Related reactions
81 records
Compound notes
Loading…