2-methyl-2-[(nitrooxy)methyl]propane-1,3-diyl dinitrate

Modify Date: 2025-08-24 16:36:29

2-methyl-2-[(nitrooxy)methyl]propane-1,3-diyl dinitrate structure	Common Name	2-methyl-2-[(nitrooxy)methyl]propane-1,3-diyl dinitrate
	CAS Number	3032-55-1	Molecular Weight	255.14000
	Density	1.513 g/cm3	Boiling Point	343.8ºC at 760 mmHg
	Molecular Formula	C₅H₉N₃O₉	Melting Point	N/A
	MSDS	N/A	Flash Point	159.6ºC

Name	[2-methyl-3-nitrooxy-2-(nitrooxymethyl)propyl] nitrate
Synonym	More Synonyms

Density	1.513 g/cm3
Boiling Point	343.8ºC at 760 mmHg
Molecular Formula	C₅H₉N₃O₉
Molecular Weight	255.14000
Flash Point	159.6ºC
Exact Mass	255.03400
PSA	165.15000
LogP	1.18720
Index of Refraction	1.487
InChIKey	IPPYBNCEPZCLNI-UHFFFAOYSA-N
SMILES	CC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]

CHEMICAL IDENTIFICATION

RTECS NUMBER :: TY7270000

CHEMICAL NAME :: 1,3-Propanediol, 2-(hydroxymethyl)-2-methyl-, trinitrate (ester)

CAS REGISTRY NUMBER :: 3032-55-1

BEILSTEIN REFERENCE NO. :: 1714870

LAST UPDATED :: 199710

DATA ITEMS CITED :: 5

MOLECULAR FORMULA :: C5-H9-N3-O9

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 1027 mg/kg

TOXIC EFFECTS :: Behavioral - altered sleep time (including change in righting reflex) Behavioral - muscle contraction or spasticity Behavioral - irritability

REFERENCE :: ATDAEI Acute Toxicity Data. Journal of the American College of Toxicology, Part B. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1- 1990- Volume(issue)/page/year: 12,610,1993

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 658 mg/kg

TOXIC EFFECTS :: Behavioral - altered sleep time (including change in righting reflex) Behavioral - tremor Behavioral - muscle contraction or spasticity

REFERENCE :: ATDAEI Acute Toxicity Data. Journal of the American College of Toxicology, Part B. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1- 1990- Volume(issue)/page/year: 12,610,1993

TYPE OF TEST :: LD - Lethal dose

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: >2 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: ATDAEI Acute Toxicity Data. Journal of the American College of Toxicology, Part B. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1- 1990- Volume(issue)/page/year: 12,608,1993

RIDADR	0473
Hazard Class	1.1A

1,1,1-tris(hydroxymethyl)ethane structure

1,1,1-tris(hydr...

CAS#:77-85-0

~87%

2-methyl-2-[(nitrooxy)methyl]propane-1,3-diyl dinitrate Structure

2-methyl-2-[(ni...

CAS#:3032-55-1

Literature: Evangelisti, Camilla; Klapoetke, Thomas M.; Krumm, Burkhard; Nieder, Anian; Berger, Raphael J.F.; Hayes, Stuart A.; Mitzel, Norbert W.; Troegel, Dennis; Tacke, Reinhold Inorganic Chemistry, 2010 , vol. 49, # 11 p. 4865 - 4880

Precursor 1
CAS#:77-85-0 1,1,1-tris(hydr...
DownStream 4
CAS#:625-58-1 ethyl nitrate CAS#:84051-80-9 1,1,1-Trimethyl... CAS#:84051-79-6 1,1,1-Trimethyl... CAS#:84051-81-0 (3-methyloxetan...

Trimethylolethane trinitrate

Nitropentaglycerin

2-methyl-1,3-bis-nitrooxy-2-nitrooxymethyl-propane

1,1,1-Trimethylolethane trinitrate

1,3-Propanediol,2-methyl-2-[(nitrooxy)methyl]-,dinitrate (ester)

Metriol trinitrate

2-methyl-1,3-bis-nitryloxy-2-nitryloxymethyl-propane

2-methyl-2-[(nitrooxy)methyl]propane-1,3-diyl dinitrate

TMETN

1,1,1-tris(methylol)ethane trinitrate

1,1,1-tris-nitrooxymethyl-ethane

2-Methyl-1,3-bis-nitryloxy-2-nitryloxymethyl-propan

EINECS 221-214-2

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Product Name: 2-methyl-2-[(nitrooxy)methyl]propane-1,3-diyl dinitrate
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Product Name: 2-methyl-2-[(nitrooxy)methyl]propane-1,3-diyl dinitrate
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Purity: 98.0%
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