Back
HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 53628101Generated: October 23, 2026

Tert-Butyllithium

https://huagongshe.com/en/chemical/53628101

Tert-Butyllithium molecular structure

Identifiers & Physical Properties

CAS No.594-19-4
Molecular formulaC4H9Li
Average molar mass64.1 g/mol
Monoisotopic mass64.08642984 g/mol
SMILESC[C](C)C.[Li]
InChIKeyBKDLGMUIXWPYGD-UHFFFAOYSA-N
PubChem CID53628101
EC No.209-831-5
DTXSIDDTXSID60883457

Chemical & Physical Properties

Topological polar surface area0
Hydrogen bond donors0
Hydrogen bond acceptors0
Rotatable bonds0
Heavy atoms5
Formal charge0
Complexity4.8
Chemical classesMetals -> Metals, Organic Compounds
Physical Description15% n-pentane solution: Yellow liquid[Alfa Aesar MSDS]

Safety & Regulations

GHS classificationDangerH250 (100%): Catches fire spontaneously if exposed to air [Danger Pyrophoric liquids]P210, P222, P223, P231, P231+P232, P233, P260, P264, P280, P301+P330+P331, P302+P335+P334, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P402+P404, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 72 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatory informationChemical: Lithium, (1,1-dimethylethyl)-REACH registered substance: tert-butyllithium (EC: 209-831-5)Lithium, (1,1-dimethylethyl)-: Does not have an individual approval but may be used under an appropriate group standard
Other safety informationIMAP assessments - Lithium, (1,1-dimethylethyl)-: Environment tier I assessment
Hazards summary15% n-pentane solution: PyrophoricReacts violently with water evolving extremely flammable gasesCauses burnsHarmful by ingestion (may cause lung damage by aspiration)[Alfa Aesar MSDS] See Lithium. See Phenyllithium.
Hazard Classes and CategoriesPyr. Sol. 1 (100%)
CSL Reaction InformationCSL00136TERT-BUTYLLITHIUM + N,N,N',N'-TETRAMETHYLDIAMINOMETHANEPotential Explosion Hazard Of -Lithiated AminesExplosiveM (up to 100g)5.6 g of isolated lithiated bis(dimethylamino)-methane cause explosion when drying in vacuo
Protective Action Criteria (PAC)1.2 [mg/m3]13 [mg/m3]79 [mg/m3]
Adverse effectsDermatotoxin - Skin burns.