Basic information
- Standard SMILES
CCOc1ccccc1C(=O)O- InChIKey
XDZMPRGFOOFSBL-UHFFFAOYSA-N- Molecular formula
- C9H10O3
- Average molar mass
- 166.17 g/mol
- Monoisotopic mass
- 166.06299418
Names & identifiers
- Preferred name
- 2-Ethoxybenzoic acid
- IUPAC
- 2-ethoxybenzoic acid
- English name
- 2-Ethoxybenzoic acid
- Molecular formula
- C9H10O3
- Molecular weight
- 166.17
Names & synonyms
2-Ethoxybenzoic acid134-11-2o-Ethoxybenzoic acidBenzoic acid, 2-ethoxy-Benzoic acid, o-ethoxy-5IN9FDI7TTortho-Ethoxybenzoic acidNSC-406710DTXSID3059638RefChem:86834DTXCID2034176205-130-3
Show more names
AKOS BBB/2512-Ethoxybenzoic2-ethoxybenzoate2-Ethromycin acidRARECHEM AL BO 00302-ethoxy-benzoicaci2'-CarboxyphenetoleEugenol Impurity 19
MFCD00002438Benzoic acid, ethoxy-Ethoxybenzoic acid2-Ethoxybenzoic Acid; NSC 406710; o-Ethoxybenzoic Acid2-EthoxybenzoicacidEINECS 205-130-32-ethoxybenzoic-acidNSC 406710
Database identifiers
- CAS
134-11-2- PubChem CID
- 67252
- DTXSID
DTXSID3059638- ChEMBL
CHEMBL4303266- UNII
- 5IN9FDI7TT
- EC Number
- 205-130-3
- Nikkaji
- J134.740C
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 156
Physicochemical properties
- Melting point
- 19.3 · 19.3-19.5 °C (lit.)
- Boiling point
- 174 · 174-176 °C/15 mmHg (lit.)
- Density
- 1.105 g/mL · 1.105 g/mL at 25 °C (lit.)
- vapor pressure
- 0.281 Pa · 0.281Pa at 25℃
- refractive index
- 20 · n20/D 1.54(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- 95 % · 95% ethanol: soluble5%, clear, colorless to yellow
- form
- Liquid
- pka
- 1 · pK1:4.21 (20°C)
- Specific Gravity
- 1.105 · 1.105
- color
- White or Colorless to Light yellow to Light orange
- Viscosity
- 68.32 mm2/s · 68.32mm2/s
- Water Solubility
- Soluble in water.
- BRN
- 2691039 · 2691039
- InChI
- 1S/C9H10O3/c1-2-12-8-6-4-3-5-7(8)9(10)11/h3-6H,2H2,1H3,(H,10,11)
- InChIKey
- XDZMPRGFOOFSBL-UHFFFAOYSA-N
- SMILES
- CCOc1ccccc1C(O)=O
- LogP
- 1.295 at · 1.295 at 25℃
- CAS DataBase Reference
- 134 · 134-11-2(CAS DataBase Reference)
- FDA UNII
- 5 IN9FDI7TT · 5IN9FDI7TT
- NIST Chemistry Reference
- 2 · Benzoic acid, 2-ethoxy-(134-11-2)
- EPA Substance Registry System
- 2 · Benzoic acid, 2-ethoxy- (134-11-2)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P280a-P305+P351+P338-P321-P332+P313-P337+P313
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- Hazard Codes
- Xi,T
- Risk Statements
- 36 · 36/37/38-26-22
- Safety Statements
- 23 · 23-24/25-45-36/37-28-26
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- HazardClass
- IRRITANT
- HS Code
- 29189900 · 29189900
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Irrit. 2
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (28.6%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (78.6%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (42.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 14 reports by companies from 6 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: Benzoic acid, 2-ethoxy-
Status: Active Update: 13-09-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/18884；Status: Active Update: 19-08-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/32828
Benzoic acid, 2-ethoxy-: 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. 4 (28.6%)；Skin Irrit. 2 (78.6%)；Eye Irrit. 2A (100%)；STOT SE 3 (42.9%)
Regulatory information
Regulatory Information
Chemical: Benzoic acid, 2-ethoxy-
Status: Active Update: 13-09-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/18884；Status: Active Update: 19-08-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/32828
Benzoic acid, 2-ethoxy-: 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.
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29189900
- risk_code
- 36/37/38-26-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,T
- safety_code
- 23-24/25-45-36/37-28-26
- hazard_class
- IRRITANT
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H315-H319
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P280a-P305+P351+P338-P321-P332+P313-P337+P313
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoic acid, 2-ethoxy-: ACTIVE
Applications
Uses2-Ethoxybenzoic acid is used in thermally induced solvent-free reactions of triphenylbismuth with a series of thiols and carboxylic acids. It serves as an active component of dental cement. Further, it prevents the entry of root-canal pathogens into periapical regions.
General Description2-Ethoxybenzoic acid is dental cement. It is root-end filling material and prevents the entry of root-canal pathogens into periapical regions.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
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Related reactions
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