Nitric acid, 1-methylethyl ester (CED0122325)

Record Information

Version

1.0

Creation Date

2026-04-03 09:49:01 UTC

Update Date

2026-08-22 13:42:19 UTC

Accession Number

CHEM063329

Identification

Common Name

Nitric acid, 1-methylethyl ester

Class

Small Molecule

Description

Nitric acid, 1-methylethyl ester is an organic compound with the formula C3H7N1O3 and an average molecular weight of 105.09 g/mol. Nitric acid, 1-methylethyl ester belongs to the organic nitrates, a subclass of organic oxoanionic compounds within the organic compounds. This substance is classified as an organic oxygen compound. It has been identified in or released from one recorded source: electrical and electronic equipment, specifically antennas.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
ISOPROPYL nitric acid	Generator

Chemical Formula

C₃H₇N₁O₃

Average Molecular Mass

105.093 g/mol

Monoisotopic Mass

105.043 g/mol

CAS Registry Number

1712-64-7

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CC(C)O[N+]([O-])=O

InChI Identifier

InChI=1S/C3H7NO3/c1-3(2)7-4(5)6/h3H,1-2H3

InChI Key

GAPFWGOSHOCNBM-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as alkyl nitrates. These are organic compounds containing a nitrate that is O-linked to an alkyl group.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organic oxoanionic compounds

Sub Class

Organic nitrates

Direct Parent

Alkyl nitrates

Alternative Parents

Substituents

Alkyl nitrate
Organic nitro compound
Organic nitric acid or derivatives
Organic 1,3-dipolar compound
Allyl-type 1,3-dipolar organic compound
Organic nitrogen compound
Organic oxide
Hydrocarbon derivative
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

Not Available

Spectra

Not Available

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
239.0	Log mg/kg	[130:420]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
506	Antennas	Electrical & Electronic Equipment	Not Available
615	Eye Makeup Products	Personal care & cosmetics	Not Available
617	Lip Care Products	Personal care & cosmetics	Not Available
618	Lip Makeup Products	Personal care & cosmetics	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	Endolysin	P00720	Enterobacteria phage T4	Predicted (SEA)	103.695
Click to view 3D structure	Acetylcholinesterase	P22303	Humans	Predicted (SEA)	7014.45
Click to view 3D structure	Carboxylesterase	B3TNN2	Loxostege sticticalis	Predicted (SEA)	62.3572
Click to view 3D structure	Salicylate synthetase, Irp9	Q9X9I8	Yersinia enterocolitica	Predicted (SEA)	106.653
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	7013.59
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	6935.51
Click to view 3D structure	Voltage-dependent L-type calcium channel subunit alpha-1C	Q13936	Humans	Predicted (SEA)	6130.63
Click to view 3D structure	Acetylcholinesterase	P21836	Mus musculus	Predicted (SEA)	5163.58
Click to view 3D structure	Monoglyceride lipase	O35678	Mus musculus	Predicted (SEA)	3694.65
Click to view 3D structure	Fatty-acid amide hydrolase 1	O08914	Mus musculus	Predicted (SEA)	4647.52
Click to view 3D structure	Arylsulfatase	P51691	Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228)	Predicted (SEA)	216.499
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	7174.19
Click to view 3D structure	Heat shock factor protein 1	P38532	Mus musculus	Predicted (SEA)	7013.83
Click to view 3D structure	Adenosine receptor A3	P0DMS8	Humans	Predicted (SEA)	7591.54
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	7198.87
Click to view 3D structure	Prostaglandin G/H synthase 2	P35354	Humans	Predicted (SEA)	7382.83
Click to view 3D structure	Neurotensin receptor type 1	P30989	Humans	Predicted (SEA)	6079.87
Click to view 3D structure	Sphingosine 1-phosphate receptor 4	O95977	Humans	Predicted (SEA)	7062.56
Click to view 3D structure	ATP-dependent molecular chaperone HSP82	C4YTQ8	Candida albicans (strain WO-1) (Yeast)	Predicted (SEA)	7302.02
Click to view 3D structure	Nuclear receptor subfamily 1 group I member 2	O75469	Humans	Predicted (SEA)	7497.66
Click to view 3D structure	Acetylcholinesterase	O42275	Electrophorus electricus	Predicted (SEA)	7434.6
Click to view 3D structure	Protein RecA	P9WHJ3	Mycobacterium tuberculosis	Predicted (SEA)	7463.09
Click to view 3D structure	Toll-like receptor 9	Q9NR96	Humans	Predicted (SEA)	7207.9
Click to view 3D structure	72 kDa type IV collagenase	P08253	Humans	Predicted (SEA)	7613.5
Click to view 3D structure	Cytochrome P450 1A2	P05177	Humans	Predicted (SEA)	7741.56