Basic information
- Standard SMILES
CCCCOP(OCCCC)OCCCC- InChIKey
XTTGYFREQJCEML-UHFFFAOYSA-N- Molecular formula
- C12H27O3P
- Average molar mass
- 250.31 g/mol
- Monoisotopic mass
- 250.16978135
Names & identifiers
- Preferred name
- Tributyl phosphite
- IUPAC
- tributyl phosphite
- English name
- Tributyl phosphite
- Molecular formula
- C12H27O3P
- Molecular weight
- 250.31
Names & synonyms
TRIBUTYL PHOSPHITE102-85-2Tri-n-butyl phosphiteTributoxyphosphinePhosphorous acid, tributyl esterTributylfosfitButyl phosphite ((C4H9O)3P)Phosphorus tributoxide (p(OBu)3)JP 304DTXSID7051474NSC-2675498030B4AD
Show more names
Tributyl phsophitejp304Syn-O-Ad P-312TributylPhosphite>Phosphorus derivativeTributyl phosphite,94%
DTXCID2030065TBPi cpdRefChem:190911203-061-3tributylphosphitePhosphorous Acid Tributyl EsterNSC 2675MFCD00009437
Database identifiers
- CAS
102-85-2- PubChem CID
- 7623
- DTXSID
DTXSID7051474- UNII
- 498030B4AD
- EC Number
- 203-061-3
- Nikkaji
- J3.232H
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 12
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 110
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Phosphite Compounds
SpringerMaterials PropertiesChemical diffusion
Exact Mass250.16978172
Molecular Weight250.31
Monoisotopic Mass250.16978172
Physical DescriptionClear colorless liquid with a mild odor; [Acros Organics MSDS]
Compound Is CanonicalizedYes
Physicochemical properties
- Melting point
- -80 °C · -80 °C
- Boiling point
- 125 °C · 125 °C
- Density
- 0.925 g/mL · 0.925 g/mL at 25 °C(lit.)
- vapor pressure
- 3.2 Pa · 3.2Pa at 20℃
- refractive index
- 20 · n20/D 1.431(lit.)
- Flash point
- 197 °F · 197 °F
- solubility
- Chloroform (Sparingly), Methanol (Slightly)
- form
- liquid
- Specific Gravity
- 0.925 · 0.925
- color
- colorless
- Water Solubility
- Not miscible or difficult to mix in water.
- Sensitive
- Air & Moisture Sensitive
- BRN
- 1703866 · 1703866
- InChI
- 1S/C12H27O3P/c1-4-7-10-13-16(14-11-8-5-2)15-12-9-6-3/h4-12H2,1-3H3
- InChIKey
- XTTGYFREQJCEML-UHFFFAOYSA-N
- SMILES
- CCCCOP(OCCCC)OCCCC
- CAS DataBase Reference
- 102 · 102-85-2(CAS DataBase Reference)
- FDA UNII
- 498030 B4AD · 498030B4AD
- EPA Substance Registry System
- Tributyl phosphite (102-85-2)
- UNSPSC Code
- 12352100 · 12352100
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 312 · H312-H314-H227-H303-H315-H319
- Precautionary statements
- 280 · P280-P305+P351+P338-P310-P210e-P312a-P403+P235-P501a
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- Hazard Codes
- C
- Risk Statements
- 21 · 21-34
- Safety Statements
- 26 · 26-36/37/39-45
- RIDADR
- 3265 · UN 3265 8/PG 3
- WGK Germany
- 3 · 3
- RTECS
- 875000 · TH0875000
- TSCA
- TSCA listed
- HS Code
- 29209085 · 29209085
- Storage Class
- 8 A · 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- 4 DermalSkin · Acute Tox. 4 DermalSkin Corr. 1B
- Toxicity
- 50 oral · LD50 oral in rat: 3gm/kg
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 0.1% (1 of 725) of reports.
Warning
H315 (33%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 725 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Phosphorous acid, tributyl ester
Phosphorous acid, tributyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phosphorous acid, tributyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 17-04-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/28208
Phosphorous acid, tributyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazards SummaryA moderate eye and severe skin irritant; [RTECS] A skin and eye irritant; Harmful by inhalation and skin absorption; [Acros Organics MSDS] See Triethyl phosphite and Dibutyl hydrogen phosphite.
Hazard Classes and CategoriesSkin Irrit. 2 (33%)
Toxicology
Toxicity DataLC (rat) > 220 ppm/6hr
Safety data
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- TH0875000
- ridadr
- UN 3265 8/PG 3
- hs_code
- 29209085
- Toxicity
- LD50 oral in rat: 3gm/kg
- risk_code
- 21-34
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- Storage Class
- 8A - Combustible corrosive hazardous materials
- Hazard statements
- H312-H314-H227-H303-H315-H319
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 4 DermalSkin Corr. 1B
- Precautionary statements
- P280-P305+P351+P338-P310-P210e-P312a-P403+P235-P501a
Chemistry & industry
Uses & manufacturing
U.S. Production2023: <50,000 lb
General Manufacturing InformationPhosphorous acid, tributyl ester: ACTIVE
Applications
UsesTributyl phosphite may be employed as model lubricant additive and its surface chemistry on Fe3O4 in ultrahigh vacuum is investigated.
UsesTributyl Phosphite inhibits fluoroacetanilide poisoning in mammals.
UsesTributyl phosphite may be employed as model lubricant additive and its surface chemistry on Fe3O4 in ultrahigh vacuum is investigated.
General DescriptionTributyl phosphite is an alkylphosphite and is reported to inhibit carboxylesterase activity.
Upstream & downstream products
Downstream products
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Related reactions
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