Basic information
- CAS
613-69-4- Standard SMILES
CCOc1ccccc1C=O- InChIKey
DUVJMSPTZMCSTQ-UHFFFAOYSA-N- Molecular formula
- C9H10O2
- Average molar mass
- 150.17 g/mol
- Monoisotopic mass
- 150.06807956
Names & identifiers
- Preferred name
- Benzaldehyde, 2-ethoxy-
- IUPAC
- 2-ethoxybenzaldehyde
- English name
- 2-Ethoxybenzaldehyde
- Molecular formula
- C9H10O2
- Molecular weight
- 150.17
Names & synonyms
2-ETHOXYBENZALDEHYDE613-69-4Benzaldehyde, 2-ethoxy-o-EthoxybenzaldehydeBenzaldehyde, o-ethoxy-NSC 1783EINECS 210-349-2AI3-01358DTXSID2060624RefChem:561323Benzaldehyde, o-ethoxy-(8CI)DTXCID5043005
Show more names
AKOS B029848ASISCHEM R42365AKOS BBS-00003145O-ETHOXYBENZALDEHDE2-ethoxy-benzaldehydO-Ethoxylbenzaldehyde2-Ethoxylbenzaldehyde
210-349-2InChI=1/C9H10O2/c1-2-11-9-6-4-3-5-8(9)7-10/h3-7H,2H2,1HBenzaldehyde, ethoxy-2-ethoxy-benzaldehydeMFCD000033167LT24CX9U3NSC-1783Salicylaldehyde Ethyl Ether
Database identifiers
- CAS
613-69-4- PubChem CID
- 11950
- DTXSID
DTXSID2060624- UNII
- 7LT24CX9U3
- EC Number
- 210-349-2
- Nikkaji
- J99.993H
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 123
Experimental & physicochemical properties
SpringerMaterials PropertiesDiamagnetic susceptibility
Physicochemical properties
- Melting point
- 20 · 20-22 C
- Boiling point
- 136 · 136-138 °C/24 mmHg (lit.)
- Density
- 1.074 g/mL · 1.074 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.543(lit.)
- Flash point
- 197 °F · 197 °F
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- Appearance
- Light yellow to yellow Liquid
- Sensitive
- Air Sensitive
- BRN
- 1937270 · 1937270
- InChI
- 1S/C9H10O2/c1-2-11-9-6-4-3-5-8(9)7-10/h3-7H,2H2,1H3
- InChIKey
- DUVJMSPTZMCSTQ-UHFFFAOYSA-N
- SMILES
- [H]C(=O)c1ccccc1OCC
- LogP
- 2.25 · 2.250 (est)
- CAS DataBase Reference
- 613 · 613-69-4(CAS DataBase Reference)
- FDA UNII
- 7 LT24CX9U3 · 7LT24CX9U3
- NIST Chemistry Reference
- 2 · Benzaldehyde, 2-ethoxy-(613-69-4)
- EPA Substance Registry System
- 2 · Benzaldehyde, 2-ethoxy- (613-69-4)
- 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 · 26-36/37/39-37/39-36
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- HS Code
- 29122990 · 29122990
- Storage Class
- 10 · 10 - Combustible liquids
- 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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationChemical: Benzaldehyde, 2-ethoxy-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29122990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37/39-37/39-36
- Storage Class
- 10 - Combustible liquids
- 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
Uses & manufacturing
General Manufacturing InformationBenzaldehyde, 2-ethoxy-: INACTIVE
Applications
Uses2-Ethoxybenzaldehyde was used to study the 1,3-dipolar cycloaddition reactions.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
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Related reactions
37 records
Compound notes
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