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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 83681Generated: October 23, 2026

Tris(1,1-dimethylethyl)phosphine

P(t-Bu)3 · TTBP · TRI-T-BUTYLPHOSPHINE · Tri-tert-butyL · Butylphosphine · ri-tert-butylphosphine · Tris(tert-butyl)phosphine · Uncle Ding Jilin

https://huagongshe.com/en/chemical/83681

Tris(1,1-dimethylethyl)phosphine molecular structure

Identifiers & Physical Properties

CAS No.13716-12-6
Molecular formulaC12H27P
Average molar mass202.32 g/mol
Monoisotopic mass202.18503749 g/mol
SMILESCC(C)(C)P(C(C)(C)C)C(C)(C)C
InChIKeyBWHDROKFUHTORW-UHFFFAOYSA-N
PubChem CID83681
EC No.237-266-4
DTXSIDDTXSID80160090

Chemical & Physical Properties

XLogP2.9
Topological polar surface area0
Hydrogen bond donors0
Hydrogen bond acceptors0
Rotatable bonds3
Heavy atoms13
Formal charge0
Complexity128
SpringerMaterials PropertiesSchoenflies notation
Melting point30-35 °C(lit.)
Boiling point102-103 °C13 mm Hg(lit.)
Density0.861 g/mL at 25 °C
Flash point1 °F
Storage conditionsFlammables area
Physical statesolid
Specific gravity0.68
Solubilityinsoluble
SensitivityAir & Moisture Sensitive
Hydrolytic Sensitivity9: reacts extremely rapidly with atmospheric moisture - may be pyrophoric - glove box or sealed system required
BRN1738613
InChIInChI=1S/C12H27P/c1-10(2,3)13(11(4,5)6)12(7,8)9/h1-9H3
InChIKeyBWHDROKFUHTORW-UHFFFAOYSA-N
SMILESP(C(C)(C)C)(C(C)(C)C)C(C)(C)C
CAS DataBase Reference13716-12-6(CAS DataBase Reference)
NIST Chemistry ReferenceTri-tert-butylphosphine(13716-12-6)
UNSPSC Code12352128
NACRESNA.22
GHS pictogramGHS02,GHS05
Signal wordDanger
GHS hazard statementsH250-H314
GHS precautionary statementsP231+P232-P260-P280-P303+P361+P353-P305+P351+P338-P370+P378
Target organsRespiratory system
Hazard symbolsF,C
Risk statements (R)17-34-67-65-63-48/20-11
Safety statements (S)26-45-62-36/37/39-25-43-27-16
UN transport numberUN 2846 4.2/PG 1
Water hazard class (WGK)3
F10-19-23
Hazard class4.2Carc. 2Eye Dam. 1Flam. Liq. 2Pyr. Liq. 1Skin Corr. 1BSTOT SE 3
Packing groupI
Customs code29319090
Storage class4.2 - Pyrophoric and self-heating hazardous materials
Excepted quantitiesForbidden

Safety & Regulations

GHS classificationDangerH250 (98.2%): Catches fire spontaneously if exposed to air [Danger Pyrophoric liquids]P210, P222, P231, P233, P260, P264, P264+P265, P280, P301+P330+P331, P302+P335+P334, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P370+P378, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 57 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and CategoriesPyr. Liq. 1 (98.2%)
F10-19-23
Water hazard class (WGK)3
UN transport numberUN 2846 4.2/PG 1
Customs code29319090
Risk statements (R)17-34-67-65-63-48/20-11
Signal wordDanger
GHS pictogramGHS02,GHS05
Hazard symbolsF,C
Safety statements (S)26-45-62-36/37/39-25-43-27-16
Hazard class4.2Carc. 2Eye Dam. 1Flam. Liq. 2Pyr. Liq. 1Skin Corr. 1BSTOT SE 3
Storage class4.2 - Pyrophoric and self-heating hazardous materials
Packing groupI
Target organsRespiratory system
GHS hazard statementsH250-H314
Excepted quantitiesForbidden
GHS precautionary statementsP231+P232-P260-P280-P303+P361+P353-P305+P351+P338-P370+P378

Applications & Uses

Uses

Tri-tert-butylphosphine is used primarily in the preparation of mono- and bidentate phosphine ligands in metal complexes for catalytic chiral asymmetric hydrogenations and other asymmetric reactions as well as transition metal coupling reactions. This reagent is also used in the preparation of other phosphines in catalytic polymerization reactions.

Uses

Valuable ligand for several coupling reactions. This product is offered as the THF solution for more convenient handling.