1,1,1-Triethoxypentane

HCID 70195

Notes Reactions

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Basic information

CAS: 919-29-9
Standard SMILES: CCCCC(OCC)(OCC)OCC
InChIKey: DIKAUBKIDNXNNW-UHFFFAOYSA-N
Molecular formula: C11H24O3
Average molar mass: 204.31 g/mol
Monoisotopic mass: 204.17254463

Names & identifiers

Preferred name: 1,1,1-Triethoxypentane
IUPAC: 1,1,1-triethoxypentane
English name: ortho-n-Valeric acid triethyl ester
Molecular formula: C11H24O3
Molecular weight: 204.31

Names & synonyms

1,1,1-Triethoxypentane919-29-9EINECS 213-047-9DTXSID70238757RefChem:70854DTXCID20161248213-047-9Triethyl OrthovaleratePentane, 1,1,1-triethoxy-MFCD00059383ORTHO-N-VALERIC ACID TRIETHYL ESTERtriethylorthovalerate

Show more names

ORTHO-N-VALERIC ACIDPentane,1,1,1-triethoxy-1,1,1-TRIETHOXY-N-PENTANETRIETHYL ORTHO-N-VALERATETriethyl orthovalerate (TEOV)Triethyl orthovalerate≥ 97% (GC)ortho-n-Valeric Acid Triethyl Es

Orthovaleric Acid Triethyl EsterTriethyl orthopentanoateBuC(OEt)3U4QHD3E77DTriethyl Orthovalerate liquidSCHEMBL1711205SCHEMBL8668946AKOS015838755

Database identifiers

CAS: 919-29-9
PubChem CID: 70195
DTXSID: DTXSID70238757
UNII: U4QHD3E77D
EC Number: 213-047-9
Nikkaji: J195.211K

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 27.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 9
Heavy atoms: 14
Formal charge: 0
Complexity: 109

Physicochemical properties

Boiling point: 50 °C · 50 °C / 3mmHg
Density: 0.88 · 0.88
refractive index: 1.41 to · 1.4100 to 1.4110
form: clear liquid
color: Colorless to Almost colorless
CAS DataBase Reference: 919 · 919-29-9
Symbol(GHS): 7 · GHS07,GHS02
Signal word: Warning
Hazard statements: 315 · H315-H319-H226
Precautionary statements: 501 · P501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P403+P235
RIDADR: 3272 · UN 3272 3/PG III
HS Code: 2909.19 · 2909.19.6000
HazardClass: 3 · 3
PackingGroup: III

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

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

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Safety data

ridadr: UN 3272 3/PG III
hs_code: 2909.19.6000
Signal word: Warning
Symbol(GHS): GHS07,GHS02
hazard_class: 3
packing_group: III
Hazard statements: H315-H319-H226
Precautionary statements: P501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P403+P235