Basic information
- Standard SMILES
CCN(CCO)c1cccc(C)c1- InChIKey
KRNUKKZDGDAWBF-UHFFFAOYSA-N- Molecular formula
- C11H17NO
- Average molar mass
- 179.26 g/mol
- Monoisotopic mass
- 179.13101416
Overview
2-(n-ethyl-n-m-toluidino)ethanol is an aminotoluene.
Names & identifiers
- Preferred name
- 2-(N-ethyl-m-toluidino)ethanol
- IUPAC
- 2-(N-ethyl-3-methylanilino)ethanol
- English name
- 2-(N-Ethyl-m-toluidino)ethanol
- Molecular formula
- C11H17NO
- Molecular weight
- 179.26
Names & synonyms
91-88-32-(N-Ethyl-m-toluidino)ethanolEmery 5714N-Ethyl-N-(2-hydroxyethyl)-m-toluidineEthanol, 2-[ethyl(3-methylphenyl)amino]-ETHANOL, 2-(N-ETHYL-m-TOLUIDINO)-N-Ethyl-N-hydroxyethyl-meta-toluidineN-Hydroxyethyl-N-ethyl-m-toluidineEINECS 202-105-9NSC 89746DTXSID3021801Ethanol, 2-(ethyl(3-methylphenyl)amino)-
Show more names
emery57142-(N-Ethyl-m-toluidiHYDROXYETHYLETHYLTOLUIDINE2-(ethyl(m-tolyl)amino)ethanol2-(n-ethyl-m-toluidino)-ethano2-(n-ethyl-n-m-toluidino)ethanol2-(Ethyl-3-methylanilino)ethanol
1ALR5X8R8W2-[ethyl(3-methylphenyl)amino]ethanolBRN 2091653NSC-89746DTXCID1018014-12-00-01819 (Beilstein Handbook Reference)N-ethyl-N-(beta-hydroxyethyl)-m-toluidinen-ethyl-n-(.beta.-hydroxyethyl)-m-toluidine
Database identifiers
- CAS
91-88-3- PubChem CID
- 7067
- DTXSID
DTXSID3021801- ChEMBL
CHEMBL3182607- ChEBI
CHEBI:190982- UNII
- 1ALR5X8R8W
- EC Number
- 202-105-9
- Nikkaji
- J31.139A
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 138
Experimental & physicochemical properties
Collision Cross Section140.6 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID3021801]
Physicochemical properties
- Melting point
- -19 °C · -19 °C
- Boiling point
- 114 · 114-115 °C/1 mmHg (lit.)
- Density
- 1.019 g/mL · 1.019 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.555(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Sealed in dry,Room Temperature
- form
- powder to lump to clear liquid
- pka
- 14.67 · 14.67±0.10(Predicted)
- color
- White or Colorless to Yellow to Orange
- Water Solubility
- insoluble
- InChI
- InChI=1S/C11H17NO/c1-3-12(7-8-13)11-6-4-5-10(2)9-11/h4-6,9,13H,3,7-8H2,1-2H3
- InChIKey
- KRNUKKZDGDAWBF-UHFFFAOYSA-N
- SMILES
- C(O)CN(CC)C1=CC=CC(C)=C1
- CAS DataBase Reference
- 91 · 91-88-3(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 1 ALR5X8R8W · 1ALR5X8R8W
- NIST Chemistry Reference
- 2 · Ethanol, 2-[ethyl(3-methylphenyl)amino]-(91-88-3)
- EPA Substance Registry System
- 2 · 2-(N-Ethyl-m-toluidino)ethanol (91-88-3)
- 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 · 22-41-36/37/38
- Safety Statements
- 26 · 26-39-37/39
- WGK Germany
- 2 · 2
- RTECS
- 1320000 · KL1320000
- TSCA
- TSCA listed
- HS Code
- 2922190090 · 2922190090
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 4 Oral · Acute Tox. 4 Oral
Safety & regulation
GHS classification
GHS Classification
Danger
H301 (48.1%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P354+P338, P316, P317, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 77 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Ethanol, 2-[ethyl(3-methylphenyl)amino]-
Ethanol, 2-ethyl(3-methylphenyl)amino-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesAcute Tox. 3 (48.1%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- KL1320000
- hs_code
- 2922190090
- risk_code
- 22-41-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-39-37/39
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P301+P312+P330
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationEthanol, 2-[ethyl(3-methylphenyl)amino]-: ACTIVE
Applications
UsesA 2-(N-Ethyl-m-toluidino)ethanol pigment system and lipoprotein lipase are used as a new glycerol oxidase determination method for serum triglyceride. 2-(N-Ethyl-m-toluidino)ethanol is also used in quantitative structure–activity relationship (QSAR) models that are developed to predict the aquatic toxicity of chemicals to the fathead minnow (Pimephales promelas).
Uses2-(N-Ethyl-N-m-toluidino)ethanol may be used in chemical synthesis studies.
Upstream & downstream products
Downstream products
Suppliers50 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [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]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
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杭州景优化工有限公司87211835 13957193240 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
衢州明锋化工有限公司0570-3062502 13819002126;13819008176 · [email protected]
Syntechem Co.,Ltd[email protected]
江苏普乐司生物科技有限公司0513-66017706 18551496367 · [email protected]
天津中信凯泰化工有限公司022-66880623 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
湖北兴琰新材料科技有限公司13129948835 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
广东方信生物科技有限公司0751-2838688 13376594225 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
孝感深远化工有限公司15527621225; 15527621225 · [email protected]
Beckmann-Kenko GmbH+49 4241 9308 88 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
上海耐士化工科技有限公司400-188-0725 +86 21 34310725 13611771617
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TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
响水恒利达科技化工有限公司0512-63863327 13771648447 · [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]
HBCChem, Inc.+1-510-219-6317 · [email protected]
上海爱蝶实业有限公司021-58957966 18930537195 · [email protected]
上海永叶生物科技有限公司86-021-61559134 15921386130 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
湖北巨胜科技有限公司027-59599241 18871490274 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海米修化工有限公司18101936766 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
Henan Alfa Chemical Co., Ltd+8618339805032 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
湖北川合化工有限公司187-7130-7593 18672969259 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
湖北源梦生物科技有限公司027-68897569 18120462897 · [email protected]
启源（广东）医药化工有限公司18026564465 · [email protected]
上海岚克医药科技发展有限公司0086-21-58956006
上海炎泽化工有限公司15345144255 19901447308 · [email protected]
Additional notes
DefinitionChEBI: 2-(n-ethyl-n-m-toluidino)ethanol is an aminotoluene.
Related reactions
10 records
Linked notes
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