CAS 814-29-9 Tributylphosphine oxide (HCID 13138)

Names & identifiers

Preferred name: Tributylphosphine oxide
IUPAC: 1-dibutylphosphorylbutane
English name: Tri-n-butylphosphine oxide
Molecular formula: C12H27OP
Molecular weight: 218.32

Names & synonyms

TRIBUTYLPHOSPHINE OXIDE814-29-9ButyphosPhosphine oxide, tributyl-Trisbutylphosphine oxideTributylfosfinoxidW58CDF8S4HNSC-41935NSC-65484DTXSID2061149RefChem:571882DTXCID5048217

Show more names

BUTYLPHOSNSC 65484NSC 41935HISHICOLIN PO-4tributylphane oxideOseltamivir impurity Htributyl-phosphineoxid

212-394-3Tri-n-butylphosphine oxide1-dibutylphosphorylbutaneTRI-N-BUTYLPHOSPHINEOXIDETBPOtributylphosphane oxide1-(dibutylphosphoryl)butaneMFCD00002082

Database identifiers

CAS: 814-29-9
PubChem CID: 13138
DTXSID: DTXSID2061149
UNII: W58CDF8S4H
EC Number: 212-394-3
Nikkaji: J50.218I

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 9
Heavy atoms: 14
Formal charge: 0
Complexity: 137

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Phosphorus Compounds

SpringerMaterials PropertiesChemical shift

Physical DescriptionWhite crystalline powder; Hygroscopic; [Acros Organics MSDS]

Physicochemical properties

Melting point: 64 · 64-69 °C(lit.)
Boiling point: 150 °C1.5 · 150 °C1.5 mm Hg(lit.)
Density: 0.848 g/cm3 · 0.8480 g/cm3
Flash point: 150 °C/1mm · 150°C/1mm
storage temp.: 2 · 2-8°C
solubility: 55.7 g/l · 55.7g/l
form: solid
color: White to Almost white
Water Solubility: Soluble in water (56 g/L at 20°C).
Sensitive: Hygroscopic
BRN: 1761977 · 1761977
InChI: InChI=1S/C12H27OP/c1-4-7-10-14(13,11-8-5-2)12-9-6-3/h4-12H2,1-3H3
InChIKey: MNZAKDODWSQONA-UHFFFAOYSA-N
SMILES: P(=O)(CCCC)(CCCC)CCCC
CAS DataBase Reference: 814 · 814-29-9(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 58 CDF8S4H · W58CDF8S4H
EPA Substance Registry System: Tributylphosphine oxide (814-29-9)
UNSPSC Code: 41116107 · 41116107
NACRES: 24 · NA.24
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302+H312+H332-H314
Precautionary statements: 260 · P260-P280-P301+P312-P303+P361+P353-P304+P340+P310-P305+P351+P338
PPE: 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
Hazard Codes: C
Risk Statements: 20 · 20/21/22-34
Safety Statements: 26 · 26-27-28-36/37/39-45
RIDADR: 1759 · UN 1759 8/PG 2
WGK Germany: 3 · 3
RTECS: 1575000 · SZ1575000
TSCA: TSCA listed
HazardClass: 8 · 8
PackingGroup: II
HS Code: 29319090 · 29319090
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 4 DermalAcute · Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralSkin Corr. 1B

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302+H312+H332 (69.5%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 151 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Chemical: Phosphine oxide, tributyl-

Phosphine oxide, tributyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA severe eye irritant; Intravenous LD50 (mouse) = 320 mg/kg; [RTECS] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Acros Organics MSDS] See Trioctylphosphine oxide. See Tributylphosphine.

Hazard Classes and CategoriesAcute Tox. 4 (96.7%)

Toxicology

Adverse EffectsDermatotoxin - Skin burns.

Safety data

PPE: Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
wgk: 3
tsca: TSCA listed
rtecs: SZ1575000
ridadr: UN 1759 8/PG 2
hs_code: 29319090
risk_code: 20/21/22-34
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: C
safety_code: 26-27-28-36/37/39-45
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: II
Hazard statements: H302+H312+H332-H314
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralSkin Corr. 1B
Precautionary statements: P260-P280-P301+P312-P303+P361+P353-P304+P340+P310-P305+P351+P338

Chemistry & industry

Pharmacology

MeSH Pharmacological Classification · 3 items

Herbicides that remove leaves from trees and growing plants. They may be either organic or inorganic. Several of the more persistent types have been used in military operations and many are toxic. (From Hawley's Condensed Chemical Dictionary, 11th ed)

Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.

Chemicals that, while not possessing inherent pesticidal activity, nonetheless promote or enhance the effectiveness of other pesticides when combined.