Basic information
- CAS
7779-27-3- Standard SMILES
CCN1CN(CC)CN(CC)C1- InChIKey
XYRTVIAPRQLSOW-UHFFFAOYSA-N- Molecular formula
- C9H21N3
- Average molar mass
- 171.28 g/mol
- Monoisotopic mass
- 171.17354768
Overview
bacteriostatic & fungistatic
Names & identifiers
- Preferred name
- 1,3,5-Triethylhexahydro-1,3,5-triazine
- IUPAC
- 1,3,5-triethyl-1,3,5-triazinane
- English name
- Hexahydro-1,3,5-triethyl-s-triazine
- Molecular formula
- C9H21N3
- Molecular weight
- 171.28
Names & synonyms
7779-27-31,3,5-Triethylhexahydro-s-triazineHexahydro-1,3,5-triethyl-s-triazine1,3,5-Triethylhexahydro-1,3,5-triazines-Triazine, 1,3,5-triethylhexahydro-1,3,5-Triazine, 1,3,5-triethylhexahydro-s-Triazine, hexahydro-1,3,5-triethyl-TriethyltrimethylenetriamineDTXSID1032511T5ADA431CFNSC-26771DTXCID9012511
Show more names
VANCIDE(R) THTRIETHYL CYCLOTRIMETHYLENETRIAMINEhexahydro-1,3,5-triethyl-s-triazin1,3,5-TRIS(ETHYL)HEXAHYDROTRIAZINE
RefChem:412636231-924-41,3,5-Triethyl-1,3,5-triazinaneVancide THTriethyl-trimethylenetriamineHEXAHYDRO-1,3,5-TRIETHYL-1,3,5-TRIAZINEs-Triazine,3,5-triethyl-4-26-00-00004 (Beilstein Handbook Reference)
Database identifiers
- CAS
7779-27-3- PubChem CID
- 24512
- DTXSID
DTXSID1032511- ChEMBL
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 9.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 91.2
Experimental & physicochemical properties
Chemical ClassesOther Uses -> Biocides/Disinfectants
Vapor Pressure15.7 [mmHg]
Food Contact Substances
FCS -> FDA Cumulative Estimated Daily Intake (CEDI)
FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical DescriptionColorless to light yellow liquid with an odor of formaldehyde; Formulated as soluble concentrate liquid; [Reference #1]
Physicochemical properties
- Boiling point
- 207 · 207-208 °C(lit.)
- Density
- 0.894 g/mL · 0.894 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.4595(lit.)
- Flash point
- 158 °F · 158 °F
- pka
- 6.69 · 6.69±0.20(Predicted)
- Indirect Additives used in Food Contact Substances
- 1 · 1,3,5-TRIETHYLHEXAHYDRO-1,3,5-TRIAZINE
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 66 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 1,3,5-Triazine, 1,3,5-triethylhexahydro-
Hexahydro-1,3,5-triethyl-s-triazine: HSNO Approval: HSR006345 Approved with controls
Hazards Summary
Corrosive; Occupational use may produce formaldehyde as an off-gas; [Reference #1] For the triazine herbicides, systemic toxicity unlikely unless large amounts are ingested; [EPA Pesticides, p. 121] A severe eye irritant; Causes zonal hepatitis in oral lethal-dose studies of mice; Causes other changes to liver and acute pulmonary edema in 14-day intermittent dermal study of rabbits; [RTECS] Combustible; Corrosive to skin; Causes corneal damage in rabbits; Harmful by inhalation; May release formaldehyde as an off-gas; Dermal studies have demonstrated skin absorption, hemolysis, and passive liver congestion; A moderate ingestion hazard based on animal studies; [R.T. Vanderbilt MSDS]
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Toxicology
Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.
Chemistry & industry
Uses & manufacturing
Uses
Used as biocide to control slime-forming bacteria and fungi in industrial adhesives, fuel/oil storage tanks, metalworking cutting fluids, paints (latex and aqueous slurries), rubber products, wet-end additives, and industrial processing chemicals; [Reference #1]
Metal Machining [Category: Heat or Machine]
Household ProductsInformation on 1 consumer products that contain Vancide-TH in the following categories is provided:
General Manufacturing Information1,3,5-Triazine, 1,3,5-triethylhexahydro-: ACTIVE
Suppliers11 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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