Propanal, 3-ethoxy-

HCID 17755

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 2806-85-1
Standard SMILES: CCOCCC=O
InChIKey: RKSGQXSDRYHVTM-UHFFFAOYSA-N
Molecular formula: C5H10O2
Average molar mass: 102.13 g/mol
Monoisotopic mass: 102.06807956

Names & identifiers

Preferred name: Propanal, 3-ethoxy-
IUPAC: 3-ethoxypropanal
English name: 3-ethoxypropionaldehyde
Molecular formula: C5H10O2
Molecular weight: 102.13

Names & synonyms

3-ETHOXYPROPANAL3-Ethoxypropionaldehyde2806-85-1Propanal, 3-ethoxy-beta-EthoxypropionaldehydePropionaldehyde, 3-ethoxy-EINECS 220-546-5NSC 46579BRN 1742109DTXSID409507724-01-00-03969 (Beilstein Handbook Reference)RefChem:868705

Show more names

Wln: vh2o2

Propanal, 3-ethoxy-(9CI)DTXCID001378917220-546-563918-98-9Propionaldehyde, ethoxy-NSC46579NSC-46579.beta.-Ethoxypropionaldehyde

Database identifiers

CAS: 2806-85-1、63918-98-9
PubChem CID: 17755
DTXSID: DTXSID40950772
EC Number: 220-546-5
Nikkaji: J51.044K

Properties

Computed structural properties

XLogP: -0.1
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 7
Formal charge: 0
Complexity: 43.3

Experimental & physicochemical properties

Chemical ClassesFlammable agents - 3rd degree

SpringerMaterials PropertiesBoiling point

Physicochemical properties

Melting point: 59 · 59-59.5 °C
Boiling point: 135.2 °C · 135.2°C (estimate)
Density: 0.9165 · 0.9165
refractive index: 1.4 · 1.4000 (estimate)
LogP: 0.166 · 0.166 (est)
EWG's Food Scores: 1 · 1
Symbol(GHS): 2 · GHS02,GHS07
Signal word: Warning
Hazard statements: 319 · H319-H226-H315-H335
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

Hazard Classes and Categories · 2 items

Flam. Liq. 3 (100%)

Flammable agents - 3rd degree

Safety data

Signal word: Warning
Symbol(GHS): GHS02,GHS07
Hazard statements: H319-H226-H315-H335
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P