2-Propanol, 2-methyl-, lithium salt (1:1) (HCID 23664764)

Names & identifiers

Preferred name: 2-Propanol, 2-methyl-, lithium salt (1:1)
IUPAC: lithium 2-methylpropan-2-olate
English name: Lithium tert-butoxide
Molecular formula: C4H9LiO
Molecular weight: 80.05

Names & synonyms

1907-33-1Lithium 2-methylpropan-2-olatetert-ButoxylithiumLithium tert-butylateLithium tert-butanolatetert-Butyl alcohol, lithium salt2-Methyl-2-propanol lithium saltEINECS 217-611-52-Propanol, 2-methyl-, lithium salt2-Propanol, 2-methyl-, lithium salt (1:1)DTXSID9051828RefChem:265966

Show more names

LTBLithium tertiary butoxideithium tert-butoxideLithium 2-methyl-2-propanolateTNFCTNFSF3400173-25G

DTXCID4030384217-611-5Lithium tert-butoxidelithium;2-methylpropan-2-olatelithium t-butoxideMFCD00050479(tert-butoxy)lithiumlithium tbutoxide

Database identifiers

CAS: 1907-33-1
PubChem CID: 23664764
DTXSID: DTXSID9051828
EC Number: 217-611-5
Nikkaji: J199.728I

Properties

Computed structural properties

Topological polar surface area: 23.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 6
Formal charge: 0
Complexity: 29

Physicochemical properties

Melting point: °C
Boiling point: 68 · 68-70 °C
Density: 0.89 g/mL · 0.89 g/mL at 20 °C
Flash point: 2 °F · −2 °F
storage temp.: 2 · 2-8°C
solubility: Soluble in toluene, hexane, tetrahydrofuran and methyl tert-butyl ether.
form: liquid
color: brown
Specific Gravity: 0.89 · 0.89
Water Solubility: vigorous reaction
Sensitive: Moisture Sensitive
Hydrolytic Sensitivity: 7 · 7: reacts slowly with moisture/water
BRN: 3620018 · 3620018
InChI: 1S/C4H9O.Li/c1-4(2,3)5;/h1-3H3;/q-1;+1
InChIKey: LZWQNOHZMQIFBX-UHFFFAOYSA-N
SMILES: [Li+].CC(C)(C)[O-]
CAS DataBase Reference: 1907 · 1907-33-1(CAS DataBase Reference)
EPA Substance Registry System: Lithium tert-butoxide (1907-33-1)
UNSPSC Code: 12352300 · 12352300
NACRES: 77 · NA.77
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 312 · H312-H412
Precautionary statements: 273 · P273-P280-P302+P352+P312-P362+P364-P501
PPE: 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
Hazard Codes: F,C,N,T
Risk Statements: 11 · 11-19-34-37-35-14-67-65-62-51/53-48/20-40-52/53-36/37/38-25
Safety Statements: 26 · 26-36/37/39-45-61-62-6A-43E-16-7/8-43-33
RIDADR: 3206 · UN 3206 4.2/PG 2
WGK Germany: 3 · 3
RTECS: 8520000 · UB8520000
F: 3 · 3-10
TSCA: TSCA listed
HazardClass: 4.2 · 4.2
PackingGroup: III
HS Code: 29051990 · 29051990
Storage Class: 4.2 · 4.2 - Pyrophoric and self-heating hazardous materials
Hazard Classifications: 4 OralSelf-heat · Acute Tox. 4 OralSelf-heat. 1Skin Corr. 1B
REACH Registrations: Active
Limited Quantities: 1 L · 1.0 L (0.3 gallon) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H228 (39.5%): Flammable solid [Danger Flammable solids]；H251 (60.5%): Self-heating; may catch fire [Danger Self-heating substances and mixtures]；H302 (93%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (11.6%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P210, P235, P240, P241, P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P370+P378, P405, P407, P410, P413, P420, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 86 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory InformationStatus: Active Update: 03-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/18552

Hazard Classes and CategoriesFlam. Sol. 2 (39.5%)；Self-heat. 1 (60.5%)；Acute Tox. 4 (93%)；Skin Corr. 1B (100%)；Eye Dam. 1 (11.6%)

Regulatory information

Regulatory InformationStatus: Active Update: 03-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/18552

Safety data

F: 3-10
PPE: Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
wgk: 3
tsca: TSCA listed
rtecs: UB8520000
ridadr: UN 3206 4.2/PG 2
hs_code: 29051990
risk_code: 11-19-34-37-35-14-67-65-62-51/53-48/20-40-52/53-36/37/38-25
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: F,C,N,T
safety_code: 26-36/37/39-45-61-62-6A-43E-16-7/8-43-33
hazard_class: 4.2
Storage Class: 4.2 - Pyrophoric and self-heating hazardous materials
packing_group: III
Hazard statements: H312-H412
Limited Quantities: 1.0 L (0.3 gallon) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
REACH Registrations: Active
Hazard Classifications: Acute Tox. 4 OralSelf-heat. 1Skin Corr. 1B
Precautionary statements: P273-P280-P302+P352+P312-P362+P364-P501

Chemistry & industry

Uses & manufacturing

General Manufacturing Information2-Propanol, 2-methyl-, lithium salt (1:1): ACTIVE

Applications · 1 item

UsesLithium tert-butoxide is a mild base used in organic synthesis. It is involved in the alfa-alkylation reaction of ketones with primary alcohols. It is utilized as a catalyst in the reduction of ketones to the corresponding secondary alcohols. It acts as lithium source utilized in the preparation of LixTiyOz thin films. Further, it is used in conjunction with organometallic reagents/catalysts to modify their reactivity and selectivity.