Basic information
- CAS
582-33-2- Standard SMILES
CCOC(=O)c1cccc(N)c1- InChIKey
ZMCBYSBVJIMENC-UHFFFAOYSA-N- Molecular formula
- C9H11NO2
- Average molar mass
- 165.19 g/mol
- Monoisotopic mass
- 165.07897859
Overview
Tricaine is a benzoate ester that is the ethyl ester of 3-aminobenzoic acid. Used (in the form of its methanesulfonate salt) as an anaesthetic for fish. It has a role as a general anaesthetic. It is a benzoate ester and a substituted aniline. It is functionally related to a 3-aminobenzoic acid. It is a conjugate base of a tricaine(1+).
Names & identifiers
- Preferred name
- Ethyl 3-aminobenzoate
- IUPAC
- ethyl 3-aminobenzoate
- English name
- Ethyl 3-aminobenzoate
- Molecular formula
- C9H11NO2
- Molecular weight
- 165.19
Names & synonyms
Ethyl 3-aminobenzoate582-33-23-Aminobenzoic acid ethyl ester3-(Ethoxycarbonyl)anilineBenzoic acid, 3-amino-, ethyl esterm-EthoxycarbonylanilineETHYL M-AMINOBENZOATEm-Aminobenzoic acid, ethyl esterAI3-02743NSC-3959302591PHL19DTXSID1044011
Show more names
AKOS BB-7960ASISCHEM C75341ethyl-m-aminobenzpateBenzocaine impurity CBenzocaine EP Impurity C3-Aminobenzoic acid ethyl
CHEBI:81494NSC395933-Aminobenzoic acid, ethyl ester, methanesulfonateTricaine methane sulfonateRefChem:56159DTXCID9024011209-482-9Tricaine
Database identifiers
- CAS
582-33-2- PubChem CID
- 11400
- DTXSID
DTXSID1044011- ChEMBL
CHEMBL1702228- ChEBI
CHEBI:81494- UNII
- 02591PHL19
- EC Number
- 209-482-9
- Nikkaji
- J47.824E
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 159
Experimental & physicochemical properties
Chemical Classes
Nitrogen Compounds -> Aminobenzoic Acids
Nitrogen Compounds -> Other Aromatics (Nitrogen)
SpringerMaterials PropertiesOptical coefficient
Physical Description
Colorless liquid; [Sigma-Aldrich MSDS]
White solid; [Merck Index] Light grey powder; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- 27 · 27-30°C
- Boiling point
- 172 · 172-175 °C/13 mmHg (lit.)
- Density
- 1.107 g/mL · 1.107 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.560(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- form
- Liquid or Low Melting Solid
- pka
- 3.5 · 3.50±0.10(Predicted)
- Specific Gravity
- 1.127 · 1.127 (20/4℃)
- color
- Clear yellow to light brown
- BRN
- 1101967 · 1101967
- InChI
- 1S/C9H11NO2/c1-2-12-9(11)7-4-3-5-8(10)6-7/h3-6H,2,10H2,1H3
- InChIKey
- ZMCBYSBVJIMENC-UHFFFAOYSA-N
- SMILES
- CCOC(=O)c1cccc(N)c1
- LogP
- 1.54 · 1.540 (est)
- CAS DataBase Reference
- 582 · 582-33-2(CAS DataBase Reference)
- FDA UNII
- 2591 PHL19 · 02591PHL19
- NIST Chemistry Reference
- 3 · Benzoic acid, 3-amino-, ethyl ester(582-33-2)
- EPA Substance Registry System
- 3 · Ethyl 3-aminobenzoate (582-33-2)
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- 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 · 26-37/39
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- HS Code
- 29224999 · 29224999
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationBenzoic acid, 3-amino-, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
A skin and strong eye irritant; [Sigma-Aldrich MSDS]
Intravenous LD50 (mouse) = 180 mg/kg; Causes general anesthesia in acute studies of frogs; [RTECS] A skin and strong eye irritant; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29224999
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Agents capable of inducing a total or partial loss of sensation, especially tactile sensation and pain. They may act to induce general ANESTHESIA, in which an unconscious state is achieved, or may act locally to induce numbness or lack of sensation at a targeted site.
Uses & manufacturing
UsesUsed as an anesthetic for fish; [Merck Index]
General Manufacturing InformationBenzoic acid, 3-amino-, ethyl ester: ACTIVE
Applications
UsesThese Reference Materials are suitable for use in several analytical applications including, but not limited to, method development for qualitative and quantitative analyses, daily calibration, and routine quality control testing.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
山东普创医药科技有限公司18953403321 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [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]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
上海凌凯科技股份有限公司58950110 13124863828 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
上海遐瑞医药科技有限公司+86-021-61551413 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海弘顺生物科技有限公司15901914505 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
淮安嘉目生物科技有限公司0517-83187139 18205232085 · [email protected]
Syntechem Co.,Ltd[email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [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]
常州安轩化工有限公司13912302692 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [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]
菏泽博纳医药科技有限公司15865805009 · [email protected]
常州琦诺生物科技有限公司0519-0519-83812535 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [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]
上海睿升化工科技有限公司+86-021-50935922
深圳菲斯生物科技有限公司0755-83725350 13380397412 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
上海笛柏生物科技有限公司400-008-9730,021-54359730 400-008-9730 · [email protected]
上海纳谦化学科技有限公司13598610367 13598610367 · [email protected]
上海嵩爰化工科技有限公司010-1234567 18521000990 · [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]
BOC Sciences16314854226; +8616314854226 · [email protected]
上海谱振生物科技有限公司4001650900 13817534909 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
武汉匠信生物科技有限公司19272768272 18007157445 · [email protected]
Additional notes
DefinitionChEBI: A benzoate ester that is the ethyl ester of 3-aminobenzoic acid. Used (in the form of its methanesulfonate salt) as an anaesthetic for fish.
Related reactions
591 records
Compound notes
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