基本情報
- CAS
4719-04-4- 標準SMILES
OCCN1CN(CCO)CN(CCO)C1- InChIKey
HUHGPYXAVBJSJV-UHFFFAOYSA-N- 分子式
- C9H21N3O3
- 平均分子量
- 219.28 g/mol
- 単同位体質量
- 219.15829154
概要
Hexahydro-1,3,5-tris(hydroxyethyl)-5-triazine is a viscous yellow liquid. (NTP, 1992)
名称と識別子
- 優先名称
- Hexahydro-1,3,5-tris(2-hydroxyethyl)-s-triazine
- IUPAC
- 2-[3,5-bis(2-hydroxyethyl)-1,3,5-triazinan-1-yl]ethanol
- 現地名
- 1,3,5-トリアジン-1,3,5(2H,4H,6H)-トリス(エタノール)
- 英語名
- Hexahydro-1,3,5-tris(hydroxyethyl)-s-triazine
- 分子式
- C9H21N3O3
- 分子量
- 219.28
名称と別名
4719-04-4TriazinetriethanolActaneGrotan BKGrotan BKalpur TEOnyxide 200Nipacide BKGrotan HDRoksol T 1-71,3,5-Triazine-1,3,5(2H,4H,6H)-triethanolBusan 1060
名称をさらに表示
2,2',2''-[1,3,5-トリアジン-1,3,5(2H,4H,6H)-トリイル]トリエタノールヘキサヒドロ-1,3,5-トリアジン-1,3,5-トリエタノールグロタンBK1,2,3,4,5,6-ヘキサヒドロ-1,3,5-トリアジン-1,3,5-トリス(エタノール)1,3,5-トリアジン-1,3,5(2H,4H,6H)-トリスエタノール1,3,5-トリアジン-1,3,5(2H,4H,6H)-トリエタノール1,3,5-トリアジン-1,3,5(2H,4H,6H)-トリス(エタノール)ヘキサヒドロ-1,3,5-トリス(2-ヒドロキシエチル)-s-トリアジンヘキサヒドロ-s-トリアジン-1,3,5-トリスエタノールヘキサヒドロ-1,3,5-トリス(2-ヒドロキシエチル)-1,3,5-トリアジンヘキサヒドロ１、３、５トリス（２ヒドロキシエチル）１、３、５トリアジン1,3,5-トリアジン-1,3,5 (2H, 4H, 6H)- トリエタノールS-トリアジン-1,3,5-トリエタノールヘキサヒドロ-1,3,5-トリス(ヒドロキシエチル)-S-トリアジンヘキサヒドロ-1,3,5-トリアジン-1,3,5-トリス(エタノール)2-[3,5-ビス(2-ヒドロキシエチル)-1,3,5-トリアジナン-1-イル]エタン-1-オール
物性
構造計算による物性
- XLogP
- -1.6
- 極性表面積
- 70.4 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 6
- 回転可能結合数
- 6
- 重原子数
- 15
- 形式電荷
- 0
- 複雑度
- 130
実験および物理化学的性質
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]
物理化学的性質
- 沸点
- 360.1 °C · 360.1°C (rough estimate)
- 比重(密度)
- 1.1269 · 1.1269 (rough estimate)
- 蒸気圧
- 0 Pa · 0Pa at 25℃
- 屈折率
- 1.483 · 1.4830 (estimate)
- 貯蔵温度
- 2 · 2-8°C
- 溶解性
- Ethyl Acetate (Slightly, Sonicated), Water (Slightly)
- 外見
- Oil to Low-Melting Solid
- 酸解離定数(Pka)
- 14.16 · 14.16±0.10(Predicted)
- 色
- Off-White to Yellow
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
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]
危険有害性情報
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
化学と産業
用途と製造
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
応用分野
用途洗剤等。殺虫剤殺菌剤等。その他有機化学製品。潤滑油切削油等。
説明Grotan 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.
使用Hexahydro-l,3,5-tris-(2-hydroxyethyl)triazin is used in organic synthesis; as a bactericide in cooling fluids and various cosmetic products; formaldehyde liberator.
一般的な説明Viscous yellow liquid.
上流・下流製品情報
上流原料
関連反応
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