1,3-di-O-tolylguanidine

Description

1,3-di-O-tolylguanidine · CAS 97-39-2 · C15H17N3. UNII LL2P01I17O. Melting Point: 179 °C; Density: 1.10 @ 20 °C/4 °C.

Identification

CAS Registry Number	97-39-2
PubChem CID	7333
Molecular formula	C15H17N3
IUPAC name	1,2-bis(2-methylphenyl)guanidine
UNII (FDA)	LL2P01I17O

Computed Descriptors

Molecular Weight	239.32
XLogP3	3.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	239.142247555
Monoisotopic Mass	239.142247555
Topological Polar Surface Area	50.4
Heavy Atom Count	18
Formal Charge	0

Physical & Chemical Properties

Melting Point	179 °C
Density	1.10 @ 20 °C/4 °C

Physical description & handling notes

• Wet Solid; Dry Powder
• White solid; [Hawley] Grey or white powder; [MSDSonline]
• WHITE POWDER
• CRYSTALS FROM DILUTED ALC
• SLIGHTLY SOL IN HOT WATER, ALC; VERY SOL IN ETHER; SOL IN CHLOROFORM
• >35.9 [ug/mL] (The mean of the results at pH 7.4)

Regulatory Status

Regulatory & Food Contact	FDA Inventory of Food Contact Substances Listed in 21 CFR: FCS
GHS notification summary	0.2% (5 / 2121)

GHS Hazard Classification

GHS notification summary	0.2% (5 / 2121)
Reported hazard statements	H301 (97.8%), H319 (95.1%), H361, H370, H373

Documented Uses

• Used as a rubber accelerator; [Hawley] Degraded during the vulcanization process, so consumers not likely to have significant exposure; [Reference #1]
• Not Known or Reasonably Ascertainable
• DESULFURIZATION OF DI-ORTHO-TOLYLTHIOUREA WITH A LEAD COMPD IN THE PRESENCE OF AMMONIA.
• Guanidine, N,N'-bis(2-methylphenyl)-: ACTIVE
• Drugs used to prevent SEIZURES or reduce their severity.

Synonyms

1,3-Di-o-tolylguanidine; 97-39-2; Di-o-tolylguanidine; DOTG; Vulkacit DOTG; Eveite DOTG; Nocceler DT; Vulkacite DOTG; 1,3-Bis(o-tolyl)guanidine; Sanceler DT; Soxinol DT; Akrochem DOTG; Vulcafor DOTG; 1,3-Ditolylguanidine; Diorthotolylguanidine; Vulkacit dotg/C

Frequently Asked Questions

What are the CAS number and molecular formula of 1,3-di-O-tolylguanidine?

CAS 97-39-2; molecular formula C15H17N3; molecular weight — g/mol.

What other names is 1,3-di-O-tolylguanidine known by?

1,3-Di-o-tolylguanidine, 97-39-2, Di-o-tolylguanidine, DOTG, Vulkacit DOTG, Eveite DOTG.

What is the regulatory status of 1,3-di-O-tolylguanidine?

Documented regulatory listings: FDA Inventory of Food Contact Substances Listed in 21 CFR: FCS.

Is 1,3-di-O-tolylguanidine classified as hazardous?

0.2% of GHS notifications report no hazard classification (5 of 2121).

What are the key physical properties of 1,3-di-O-tolylguanidine?

Melting Point: 179 °C; Density: 1.10 @ 20 °C/4 °C.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.