CAS 24964-76-9 1,1,1-Triethoxybutane (HCID 371779)

Substructure search Find similar structures

Basic information

CAS: 24964-76-9
Standard SMILES: CCCC(OCC)(OCC)OCC
InChIKey: KOPMZTKUZCNGFY-UHFFFAOYSA-N
Molecular formula: C10H22O3
Average molar mass: 190.28 g/mol
Monoisotopic mass: 190.15689456

Names & identifiers

Preferred name: 1,1,1-Triethoxybutane
IUPAC: 1,1,1-triethoxybutane
English name: Triethyl orthobutyrate
Molecular formula: C10H22O3
Molecular weight: 190.28

Names & synonyms

1,1,1-TriethoxybutaneRefChem:409434678-319-5Triethyl Orthobutyrate24964-76-9TriethylorthobutyrateButane, 1,1,1-triethoxy-MFCD00059382NSC646223triethoxybutaneOrtho-n-butyric acid triethyl ester1,1,1-Triethoxy-butane

Show more names

Triethyl butyrateethyl orthobutyrateTriethyl orthobutyraETHYL ORTHO-N-BUTYRATETriethylOrthobutyrate>Butane, 1,1,1-triethoxy-TRIETHYL ORTHO-N-BUTYRATETriethyl orthobutyrate (TEOB)

SCHEMBL1691770CHEMBL2000498Orthobutyric Acid Triethyl EsterSCHEMBL10444956DTXSID90327334ZAA964761,1,1-Triethoxybutane, AldrichCPRAKOS009159014

Database identifiers

CAS: 24964-76-9
PubChem CID: 371779
DTXSID: DTXSID90327334
ChEMBL: CHEMBL2000498
EC Number: 678-319-5
Nikkaji: J208.819C

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 27.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 8
Heavy atoms: 13
Formal charge: 0
Complexity: 97

Physicochemical properties

Boiling point: 63 °C · 63 °C / 10mmHg
Density: 0 · 0,88 g/cm3
refractive index: 1.404 · 1.4040-1.4080
Flash point: 58 °C · 58°C
storage temp.: 2 · Storage temp. 2-8°C
form: clear liquid
color: Colorless
InChI: InChI=1S/C10H22O3/c1-5-9-10(11-6-2,12-7-3)13-8-4/h5-9H2,1-4H3
InChIKey: KOPMZTKUZCNGFY-UHFFFAOYSA-N
SMILES: C(OCC)(OCC)(OCC)CCC
CAS DataBase Reference: 24964 · 24964-76-9(CAS DataBase Reference)
Symbol(GHS): 2 · GHS02,GHS07
Signal word: Warning
Hazard statements: 226 · H226-H315-H319
Precautionary statements: 210 · P210-P233-P240-P241+P242+P243-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P370+P378-P403+P235-P501

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H226 (50%): Flammable liquid and vapor [Warning Flammable liquids]；H227 (50%): Combustible liquid [Warning Flammable liquids]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 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.