CAS 2082-80-6 Phosphorous acid, trioctadecyl ester (HCID 248442)

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Basic information

CAS: 2082-80-6
Standard SMILES: CCCCCCCCCCCCCCCCCCOP(OCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC
InChIKey: CNUJLMSKURPSHE-UHFFFAOYSA-N
Molecular formula: C54H111O3P
Average molar mass: 839.4 g/mol
Monoisotopic mass: 838.82708404

Names & identifiers

Preferred name: Phosphorous acid, trioctadecyl ester
IUPAC: trioctadecyl phosphite
English name: PHOSPHOROUS ACID TRI-N-OCTADECYL ESTER
Molecular formula: C54H111O3P
Molecular weight: 839.43

Names & synonyms

Trioctadecyl phosphiteTristearyl phosphitePhosphorous acid, trioctadecyl esterTris(octadecyl)phosphiteTris(octadecyl) phosphiteChelex SWeston TSPOctadecyl phosphite, (C18H37O3)3PCNUJLMSKURPSHE-UHFFFAOYSA-DTXSID20883791EINECS 218-217-6JP 318

Show more names

rioctadecylphosphiteTRI-N-OCTADECYL PHOSPHITEphosphorousacidtrioctadecylesterPhosphorousacid,trioctadecylesterPHOSPHOROUS ACID TRISTEARYL ESTERPhosphorous Acid Tristearyl Ester Trioctadecyl Phosphite Phosphorous Acid Trioctadecyl Ester

NSC 65487RefChem:173914DTXCID701023278218-217-6InChI=1/C54H111O3P/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58(56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h4-54H2,1-3H32082-80-6PHOSPHOROUSACIDTRI-N-OCTADECYLESTERPhosphorous acid tri-n-octadecyl ester

Database identifiers

CAS: 2082-80-6

Properties

Computed structural properties

XLogP: 26.6
Topological polar surface area: 27.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 54
Heavy atoms: 58
Formal charge: 0
Complexity: 599

Physicochemical properties

Melting point: 45 to · 45.0 to 52.0 °C
Boiling point: 650.4 · 650.4±23.0 °C(Predicted)
CAS DataBase Reference: 2082 · 2082-80-6
EPA Substance Registry System: Phosphorous acid, trioctadecyl ester (2082-80-6)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H315-H335
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
TSCA: TSCA listed

Safety & regulation

GHS classification

GHS Classification · 4 items

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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

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