Ethyl 2-(diethoxyphosphinyl)pentanoate

HCID 98244

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Basic information

CAS: 35051-49-1
Standard SMILES: CCCC(C(=O)OCC)P(=O)(OCC)OCC
InChIKey: BUPVIVDUPRDDFI-UHFFFAOYSA-N
Molecular formula: C11H23O5P
Average molar mass: 266.27 g/mol

Names & identifiers

Preferred name: Ethyl 2-(diethoxyphosphinyl)pentanoate
IUPAC: ethyl 2-diethoxyphosphorylpentanoate
English name: Triethyl 2-phosphonopentanoate
Molecular formula: C11H23O5P
Molecular weight: 266.27

Names & synonyms

35051-49-1RefChem:1084779Ethyl 2-(diethoxyphosphinyl)pentanoateEthyl 2-(diethoxyphosphoryl)pentanoateTriethyl 2-Phosphonopentanoateethyl 2-diethoxyphosphorylpentanoatePentanoic acid, 2-(diethoxyphosphinyl)-, ethyl esterMFCD00015163Valeric acid, 2-(diethylphosphono)-, ethyl esterTriethyl 2-phosphonovalerateNSC 92299alpha-Carbethoxybutylphosphonic acid, diethyl ester

Show more names

Ethyl 2-(diethoxyphosphoryl)2-(diethylphosphono)-valericaciethylesterα-Carbethoxybutylphosphonicacid diethylester2-(Diethoxyphosphinyl)valeric acid ethyl ester2-diethoxyphosphoryl-pentanoic acid ethyl ester2-(Diethoxyphosphinyl)pentanoic acid ethyl esteralpha-carbethoxybutylphosphonicacid,diethylester

BRN 1965263Phosphonic acid, alpha-carbethoxybutyl-, diethyl esterNCIOpen2_005887SCHEMBL1051880AKOS017343233Ethyl 2-(diethoxyphosphoryl)pentanoate #SY402959CS-0159652

Database identifiers

CAS: 35051-49-1
PubChem CID: 98244
EC Number: 680-996-7
Nikkaji: J49.623E

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 61.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 10
Heavy atoms: 17
Formal charge: 0
Complexity: 257

Physicochemical properties

Boiling point: 98 °C/2mm · 98°C/2mm
Flash point: 98 °C/2mm · 98°C/2mm
form: Liquid
color: Colorless
Symbol(GHS): 7 · GHS07
Hazard statements: 315 · H315-H319
Precautionary statements: 280 g-P305+P351+P338 · P280g-P305+P351+P338
RIDADR: 3278 · UN3278
HazardClass: 6.1 · 6.1
PackingGroup: III

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.