Basic information
- CAS
103-76-4- Standard SMILES
OCCN1CCNCC1- InChIKey
WFCSWCVEJLETKA-UHFFFAOYSA-N- Molecular formula
- C6H14N2O
- Average molar mass
- 130.19 g/mol
- Monoisotopic mass
- 130.11061307
Names & identifiers
- Preferred name
- 1-(2-Hydroxyethyl)piperazine
- IUPAC
- 2-piperazin-1-ylethanol
- English name
- 1-(2-Hydroxyethyl)piperazine
- Molecular formula
- C6H14N2O
- Molecular weight
- 130.19
Names & synonyms
N-(2-Hydroxyethyl)piperazine103-76-41-(2-Hydroxyethyl)piperazine1-PIPERAZINEETHANOL2-Piperazin-1-ylethanol2-PiperazinoethanolHydroxyethylpiperazine2-(1-Piperazinyl)ethanol1-Piperazinethanol2-HydroxyethylpiperazineUSAF DO-222-(piperazin-1-yl)ethanol
Show more names
2-(Piperazin-1-yl)ethan-1-olN-HYDROXYETHYLPIPERAZINE2-PIPERAZIN-1-YL-ETHANOLHydroxyethylPiperazine /1-PiperazineethanolNSC 60706NSC 38969
4-(2-Hydroxyethyl)piperazineEthanol, 2-(1-piperazinyl)-N-(beta-Hydroxyethyl)piperazine1-(beta-Hydroxyethyl)piperazineNSC 26884CCRIS 6687DTXSID3021853G7VXS31ZFP
Database identifiers
- CAS
103-76-4- PubChem CID
- 7677
- DTXSID
DTXSID3021853- ChEMBL
CHEMBL3183736- UNII
- G7VXS31ZFP
- EC Number
- 203-142-3
- Nikkaji
- J76.692E
Properties
Computed structural properties
- XLogP
- -1.1
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 71
Experimental & physicochemical properties
Physical Description
Liquid
Light yellow liquid; [Aldrich MSDS]
Kovats Retention Index1948；1985
Collision Cross Section125.6 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID3021853]；124.7 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID3021853]
Physicochemical properties
- Melting point
- -38.5 °C · -38.5 °C
- Boiling point
- 246 °C · 246 °C(lit.)
- Density
- 1.061 g/mL · 1.061 g/mL at 25 °C(lit.)
- vapor pressure
- 0.007 hPa · 0.007 hPa (20 °C)
- refractive index
- 20 · n20/D 1.506(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Oily Liquid
- pka
- 14.96 · 14.96±0.10(Predicted)
- color
- Clear colorless to pale yellow
- Specific Gravity
- 1.06 · 1.060
- PH
- 12.3 · 12.3 (100g/l, H2O, 20℃)
- explosive limit
- 1.4 · 1.4-8.9%(V)
- Water Solubility
- MISCIBLE
- BRN
- 104361 · 104361
- Henry's Law Constant
- 2.9 · 2.9×103 mol/(m3Pa) at 25℃, Nguyen (2013)
- InChI
- 1S/C6H14N2O/c9-6-5-8-3-1-7-2-4-8/h7,9H,1-6H2
- InChIKey
- WFCSWCVEJLETKA-UHFFFAOYSA-N
- SMILES
- OCCN1CCNCC1
- LogP
- -1.47 at · -1.47 at 25℃
- CAS DataBase Reference
- 103 · 103-76-4(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 7 VXS31ZFP · G7VXS31ZFP
- NIST Chemistry Reference
- 1 · 1-Piperazineethanol(103-76-4)
- EPA Substance Registry System
- 1 · 1-Piperazineethanol (103-76-4)
- UNSPSC Code
- 12352104 · 12352104
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 315 · H315-H318
- Precautionary statements
- 264 · P264-P280-P302+P352-P305+P351+P338-P332+P313-P362+P364
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38-41-38
- Safety Statements
- 26 · 26-36/39-37/39
- WGK Germany
- 1 · 1
- RTECS
- 6825000 · TL6825000
- Autoignition Temperature
- 280 °C · 280 °C
- Hazard Note
- Irritant
- TSCA
- TSCA listed
- HS Code
- 29335995 · 29335995
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 1 Skin · Eye Dam. 1Skin Irrit. 2
- Toxicity
- 50 orally · LD50 orally in Rabbit: 4000 mg/kg LD50 dermal Rabbit > 5000 mg/kg
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
Danger
H315 (80%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (76.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (18.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (19.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 260 reports by companies from 20 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
Regulatory Information
Chemical: 1-Piperazineethanol
1-Piperazineethanol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Piperazineethanol 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: 06-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/19699；Status: Active Update: 26-11-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/21255
2-(1-Piperazinyl) ethanol: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
A moderate eye and mild skin irritant; Causes somnolence, muscle weakness, and muscle contraction or spasticity in oral lethal-dose studies of guinea pigs and rabbits; [RTECS] An irritant; Prolonged or repeated exposure may cause allergic reactions in certain sensitive individuals. [Aldrich MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (80%)；Eye Dam. 1 (76.5%)；Eye Irrit. 2 (18.8%)；STOT SE 3 (19.6%)
Toxicology
Adverse EffectsNeurotoxin - Other CNS neurotoxin
Regulatory information
Regulatory Information
Chemical: 1-Piperazineethanol
1-Piperazineethanol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Piperazineethanol 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: 06-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/19699；Status: Active Update: 26-11-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/21255
2-(1-Piperazinyl) ethanol: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- TL6825000
- hs_code
- 29335995
- Toxicity
- LD50 orally in Rabbit: 4000 mg/kg LD50 dermal Rabbit > 5000 mg/kg
- risk_code
- 36/37/38-41-38
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36/39-37/39
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H315-H318
- REACH Registrations
- Active
- Hazard Classifications
- Eye Dam. 1Skin Irrit. 2
- Autoignition Temperature
- 280 °C
- Precautionary statements
- P264-P280-P302+P352-P305+P351+P338-P332+P313-P362+P364
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 700,000 - <850,000 lb；2022: 1,000,000 - <5,000,000 lb；2021: 400,000 - <550,000 lb；2020: 100,000 - <250,000 lb
Industry UsesOther；Solvent；Flotation agent；Intermediate；Absorbent
General Manufacturing Information
All Other Chemical Product and Preparation Manufacturing；Petroleum Refineries；All Other Basic Organic Chemical Manufacturing；Mining (except Oil and Gas) and support activities
1-Piperazineethanol: ACTIVE
Applications
Description1-(2-Hydroxyethyl)piperazine (HEP) is obtained during ethyleneamine production and used for corrosion inhibitors, pharmaceuticals, surfactants, and synthetic fibers.
Uses1-Piperazineethanol is a hydroxyalkyl substituted pieprazine used in the preparation of pharmaceutical compounds such as neuroleptic agents.
Uses1-(2-Hydroxyethyl)piperazine is a hydroxyalkyl substituted pieprazine used in the preparation of pharmaceutical compounds such as neuroleptic agents.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
宁波亿诺化学品有限公司86-574-27787657 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
上海德默医药科技有限公司400-021-7337 2355568890 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
上海长根化学科技有限公司021-69106814 13917161715
合肥天健化工有限公司551-65418679 15856988503;15837135945 · [email protected]
成都福尔斯特医药技术有限公司028-87078428 028-87074958 · [email protected]
大赛璐药物手性技术（上海）有限公司021-50460086-9 15921403865 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
深圳菲斯生物科技有限公司0755-83725681-603
上海思域化工科技有限公司86-21-34053660 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
北京伊诺凯科技有限公司400-810-7969 010-59572699 · [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]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
上海卓锐化工有限公司021-69180038
深圳康特腾科技有限公司86-0755-86635001 · [email protected]
上海汇凯化学科技有限公司021-61995394 18916691159 · [email protected]
上海昶衍化工科技有限公司021-20242659 18930833303 · [email protected]
湖北鑫源顺医药化工有限公司13971561712, 13995564702, 027-50664929 · [email protected]
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]
Related reactions
633 records
Compound notes
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