기본 정보
- CAS
4719-04-4- 표준 SMILES
OCCN1CN(CCO)CN(CCO)C1- InChIKey
HUHGPYXAVBJSJV-UHFFFAOYSA-N- 분자식
- C9H21N3O3
- 평균 분자량
- 219.28 g/mol
- 단동위원소 질량
- 219.15829154
개요
Hexahydro-1,3,5-tris(hydroxyethyl)-5-triazine is a viscous yellow liquid. (NTP, 1992)
이름 및 식별자
- 우선 이름
- Hexahydro-1,3,5-tris(2-hydroxyethyl)-s-triazine
- IUPAC
- 2-[3,5-bis(2-hydroxyethyl)-1,3,5-triazinan-1-yl]ethanol
- 현지명
- 1,3,5-트리아진-1,3,5(2H,4H,6H)-트리에탄올
- 영어명
- Hexahydro-1,3,5-tris(hydroxyethyl)-s-triazine
- 분자식
- C9H21N3O3
- 분자량
- 219.28
이름 및 동의어
4719-04-4TriazinetriethanolActaneGrotan BKGrotan BKalpur TEOnyxide 200Nipacide BKGrotan HDRoksol T 1-71,3,5-Triazine-1,3,5(2H,4H,6H)-triethanolBusan 1060
이름 더 보기
1,3,5-트리아진-1,3,5(2H,4H,6H)-트리에탄올s-트라이아진-1,3,5(2H,4H,6H)-트라이에탄올1,3,5-트라이아진-1,3,5-(2H,4H,6H)-트라이에탄올1,3,5-트라이아진-1,3,5(2H,4H,6H)-트라이에탄올1,3,5-트리스(2-하이드록시에틸)-1,3,5-트라이아자사이클로헥세인1,3,5-트리스(2-하이드록시에틸)헥사하이드로-1,3,5-트라이아진1,3,5-트리스(2-하이드록시에틸)헥사하이드로-s-트라이아진1,3,5-트리스에탄올 트라이아진헥사하이드로-1,3,5-트리스(2-하이드록시에틸)-1,3,5-트라이아진헥사하이드로-1,3,5-트리스(2-하이드록시에틸)-s-트라이아진헥사하이드로-1,3,5-트리스(하이드록시에틸)-s-트리아진HexahydrotriazineHexahydro-1TRIS(N-HYDROXYETHYL) HEXAHYDROTRIAZINE1,3,5-Tris(2-hydroxyethyl)hexahydro-1,3,5-triazineBK-8eta75
BactracleanHexahydro-1,3,5-tris(2-hydroxyethyl)-s-triazineRancidity control agentProtectol HTActicide GRSurcide DSurcide PCobate C
물성
구조 계산 물성
- XLogP
- -1.6
- 극성 표면적
- 70.4 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 130
실험 및 물리화학적 성질
Chemical ClassesOther Uses -> Biocides/Disinfectants
SolubilitySoluble (>=10 mg/ml at 75 °F) (NTP, 1992)
Flash Point
greater than 200 °F (NTP, 1992)
Flash point > 200 °F
Physical Description
Hexahydro-1,3,5-tris(hydroxyethyl)-5-triazine is a viscous yellow liquid. (NTP, 1992)
Viscous yellow liquid; [CAMEO] Formulated as liquid concentrates; [Reference #2]
물리화학적 성질
- 끓는 점
- 360.1 °C · 360.1°C (rough estimate)
- 밀도
- 1.1269 · 1.1269 (rough estimate)
- 증기압
- 0 Pa · 0Pa at 25℃
- 굴절률
- 1.483 · 1.4830 (estimate)
- 저장 조건
- 2 · 2-8°C
- 용해도
- Ethyl Acetate (Slightly, Sonicated), Water (Slightly)
- 물리적 상태
- 오일을 저융점 고체로
- 산도 계수 (pKa)
- 14.16 · 14.16±0.10(Predicted)
- 색상
- 황백색에서 노란색까지
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302: Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
This chemical does not meet GHS hazard criteria for 0.1% (2 of 1471) of reports.
Danger
H302 (99.9%): Harmful if swallowed [Warning Acute toxicity, oral]
유해성 정보
Regulatory Information
Chemical: 1,3,5-Triazine-1,3,5(2H,4H,6H)-triethanol
REACH registered substance: 2,2',2''-(hexahydro-1,3,5-triazine-1,3,5-triyl)triethanol (EC: 225-208-0)
1,3,5-Triazine-1,3,5(2H,4H,6H)-triethanol: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 1,3,5-Triazine-1,3,5(2H,4H,6H)-triethanol: Human health tier II assessment
DOT LabelPoison
Fire HazardsThis chemical is probably combustible. (NTP, 1992)
Health HazardsExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Hazards Summary
Allergic contact dermatitis and asthma reported in exposed workers; [Kanerva, p. 1800] Hydrolyzed forming formaldehyde, which is responsible for the antimicrobial activity of the compound; Reports of occupational skin irritation and sensitization, conjunctivitis, and bronchial asthma; 1% of 1,772 patients with suspected ACD had positive sensitization reaction to a 1% concentration; [Reference #2] Danger of skin sensitization; [MAK] See Formaldehyde.
Reactive Group
화학 및 산업
용도 및 제조
Uses
Used as a formaldehyde-releasing biocide in metalworking fluids; [Kanerva, p. 1800] An antimicrobial (possesses some fungicidal activity) used to preserve adhesives, metalworking fluids, indoor construction materials, lubricants, aqueous mineral slurries, paints, stains, coatings, fuel and oil in storage, oil field drilling muds, inks and dyes, chemical and clinical reagents, industrial water systems, and household and industrial cleansers and detergents; [Reference #2]
Metal Machining [Category: Heat or Machine]
Household ProductsInformation on 45 consumer products that contain Triazinetriethanol in the following categories is provided:
General Manufacturing Information1,3,5-Triazine-1,3,5(2H,4H,6H)-triethanol: ACTIVE
응용 분야
개요Grotan BK is a triazine derivative contained in cutting fluids. It is a formaldehyde releaser. Hexahydro-1,3,5-tris(hydroxyethyl)-s-triazine is a light-yellow liquid. It is a formaldehyde condensate product that is used as an antimicrobial agent in metal working fluids.
용도Hexahydro-l,3,5-tris-(2-hydroxyethyl)triazin is used in organic synthesis; as a bactericide in cooling fluids and various cosmetic products; formaldehyde liberator.
일반 설명Viscous yellow liquid.
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