Methanol, lithium salt (CED0002464)

Record Information

Version

1.0

Creation Date

2016-05-19 04:48:30 UTC

Update Date

2026-04-05 17:46:03 UTC

Accession Number

CHEM015325

Identification

Common Name

Methanol, lithium salt

Class

Small Molecule

Description

Methanol, lithium salt is an organic salt with the chemical formula CH3LiO and an average molecular weight of 37.97 g/mol. Methanol, lithium salt belongs to the organic alkali metal salts, a subclass of organic metal salts within the organic compounds. This compound has been identified in or released from three recorded sources. These include building and construction materials, specifically tents or canopies, as well as electrical and electronic equipment, such as amplifiers and antennas.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Lithium(1+) ion methanolic acid	Generator

Chemical Formula

CH₃LiO

Average Molecular Mass

37.970 g/mol

Monoisotopic Mass

38.034 g/mol

CAS Registry Number

865-34-9

IUPAC Name

lithium(1+) ion methanolate

Traditional Name

lithium(1+) ion methoxide

SMILES

[Li+].C[O-]

InChI Identifier

InChI=1S/CH3O.Li/c1-2;/h1H3;/q-1;+1

InChI Key

JILPJDVXYVTZDQ-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as organic lithium salts. These are organic compounds containing a lithium ion.

Kingdom

Organic compounds

Super Class

Organic salts

Class

Organic metal salts

Sub Class

Organic alkali metal salts

Direct Parent

Organic lithium salts

Alternative Parents

Substituents

Organic lithium salt
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organic zwitterion
Alkoxide
Organooxygen compound
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Property	Value	Source
Water Solubility	334 g/L	ALOGPS
logP	-0.41	ALOGPS
logP	-0.52	ChemAxon
logS	0.94	ALOGPS
pKa (Strongest Acidic)	15.78	ChemAxon
pKa (Strongest Basic)	-2.5	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	1	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	23.06 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	18.81 m³·mol⁻¹	ChemAxon
Polarizability	3.06 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-000i-9000000000-87e78b1b3383ca0b5cb3	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-000i-9000000000-f2fa51441fd9a33a432f	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-00kr-9000000000-d4c19cf99444a6b94b97	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-000i-9000000000-33e32f36f176e7b8f8d7	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-000i-9000000000-33e32f36f176e7b8f8d7	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-000i-9000000000-33e32f36f176e7b8f8d7	Not Available	View Spectrum

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
267.0	Log mg/kg	[150:480]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
503	Tents Or Canopies	Building & Construction	Not Available
505	Amplifiers	Electrical & Electronic Equipment	Not Available
506	Antennas	Electrical & Electronic Equipment	Not Available

Pathways

0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	3-isopropylmalate dehydrogenase	Q5SIY4	Thermus thermophilus	Predicted (SEA)	471.844
Click to view 3D structure	Liver carboxylesterase 1	P23141	Humans	Predicted (SEA)	7761.8
Click to view 3D structure	Cocaine esterase	O00748	Humans	Predicted (SEA)	7769.51
Click to view 3D structure	Fatty-acid amide hydrolase 1	O00519	Humans	Predicted (SEA)	7782.43
Click to view 3D structure	Liver carboxylesterase	Q29550	Sus scrofa	Predicted (SEA)	7463.4
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	7784.46
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	7784.69
Click to view 3D structure	Free fatty acid receptor 3	B2GV46	Rattus norvegicus	Predicted (SEA)	5571.44
Click to view 3D structure	Juvenile hormone esterase	Q9GPG0	Manduca sexta	Predicted (SEA)	2156.89
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	7784.84
Click to view 3D structure	Acylcarnitine hydrolase	Q91WG0	Mus musculus	Predicted (SEA)	3299.41
Click to view 3D structure	1-deoxy-D-xylulose-5-phosphate synthase	P77488	Escherichia coli (strain K12)	Predicted (SEA)	6410.88
Click to view 3D structure	3-hydroxyanthranilate 3,4-dioxygenase	P46952	Humans	Predicted (SEA)	6206.3
Click to view 3D structure	3-hydroxyanthranilate 3,4-dioxygenase	P46953	Rattus norvegicus	Predicted (SEA)	6206.3
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	7784.53
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	7784.84
Click to view 3D structure	Esterase	A3QR02	Chilo suppressalis	Predicted (SEA)	3121.83
Click to view 3D structure	Carbonic anhydrase 2	P00921	Bos taurus	Predicted (SEA)	7743.58
Click to view 3D structure	Beta-carbonic anhydrase 1	P9WPJ7	Mycobacterium tuberculosis	Predicted (SEA)	7782.28
Click to view 3D structure	CG8425-PA [Drosophila melanogaster]	A1ZA98	Drosophila melanogaster	Predicted (SEA)	3946.57
Click to view 3D structure	Toll-like receptor 9	Q9NR96	Humans	Predicted (SEA)	7784.14
Click to view 3D structure	Organic anion transporter 3	O88909	Mus musculus	Predicted (SEA)	7030.49
Click to view 3D structure	Carbonic anhydrase 4	Q95323	Bos taurus	Predicted (SEA)	7782.51
Click to view 3D structure	Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase	Q9BHT9	Plasmodium berghei	Predicted (SEA)	7783.91
Click to view 3D structure	Carbonic anhydrase 6	P23280	Humans	Predicted (SEA)	7784.53