基本情報
- CAS
4080-31-3- 標準SMILES
Cl/C=C\C[N+]12CN3CN(CN(C3)C1)C2.[Cl-]- InChIKey
UKHVLWKBNNSRRR-ODZAUARKSA-M- 分子式
- C9H16ClN4.Cl
- 平均分子量
- 251.15 g/mol
- 単同位体質量
- 250.0752019
概要
Quaternium-15 is a quaternary ammonium salt used as a preservative in many cosmetics and industrial substances. It acts as a formaldehyde releaser. It can cause contact dermatitis in sensitive individuals. It's toxicity is also due to it's ability to react and release formaldehyde and nitrosamines, both of which are believed to be carcinogenic. (L1890, L1897)
名称と識別子
- 優先名称
- cis-1-(3-Chloroallyl)-3,5,7-triaza-1-azoniaadamantane chloride
- IUPAC
- 1-[(Z)-3-chloroprop-2-enyl]-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane chloride
- 現地名
- クォーターニウム-15
- 英語名
- Quaternium-15
- 分子式
- C9H16Cl2N4
- 分子量
- 251.16
名称と別名
51229-78-8Chloroallyl methenamine chlorideQuaternium-15 cis-formcis-1-(3-Chloroallyl)-3,5,7-triaza-1-azoniaadamantane chlorideDTXSID0035748UNII-LIT014L4RHLIT014L4RHCOSEPT 200DTXCID8015748EC 426-020-3QUATERNIUM-15 CIS-FORM [II]QUATERNIUM-15 CIS-FORM [MI]
名称をさらに表示
クォーターニウム-15クォーターニウム-15, 100 µg/mL in MeOHQUATERNIUM 15DOWICIL(z)-ridPycal 94Dowicil150Dowicil200DOWICIL(R) 200DOWICIL(TM) 200Quaternium 15(TM)
1-(3-CHLOROALLYL)-3,5,7-TRIAZA-1-AZONIAADAMANTANE CHLORIDE, CIS-QUATERNIUM-15 CIS-FORM (II)3,5,7-TRIAZA-1-AZONIATRICYCLO(3.3.1.13,7)DECANE, 1-((2Z)-3-CHLORO-2-PROPEN-1-YL)-, CHLORIDE (1:1)RefChem:126386426-020-3Dowicil 2001-((Z)-3-Chloroallyl)-1,3,5,7-tetraazaadamantan-1-ium chloridecis-N-(3-Chloroallyl) hexaminium chloride
データベース識別子
- CAS
物性
構造計算による物性
- 極性表面積
- 9.7 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 4
- 回転可能結合数
- 2
- 重原子数
- 15
- 形式電荷
- 0
- 複雑度
- 224
実験および物理化学的性質
Chemical ClassesOther Uses -> Biocides/Disinfectants
Physical DescriptionOff-white solid with a mild amine odor; [Merck Index] Off-white powder; [Dow Chemical MSDS]
物理化学的性質
- 貯蔵温度
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- 溶解性
- DMSO (Slightly), Methanol (Slightly)
- 外見
- Solid
- 色
- White to Pale Yellow
- 安定性
- 安定していますが、水分に敏感です。強力な酸化剤とは相容れない。
- 化粧品成分の機能
- 防腐剤抗菌剤
- InChI
- InChI=1S/C9H16ClN4.ClH/c10-2-1-3-14-7-11-4-12(8-14)6-13(5-11)9-14;/h1-2H,3-9H2;1H/q+1;/p-1/b2-1-;
- InChIKey
- UKHVLWKBNNSRRR-ODZAUARKSA-M
- SMILES
- [N+]12(C/C=C\Cl)CN3CN(CN(C3)C1)C2.[Cl-]
- CAS データベース
- 51229 · 51229-78-8
- EPAの化学物質情報
- -1 · cis-1-(3-Chloroallyl)-3,5,7-triaza-1-azoniaadamantane chloride (51229-78-8)
化学的性質
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
H228: Flammable solid [Danger Flammable solids]
P203, P210, P240, P241, P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P318, P321, P330, P332+P317, P333+P317, P362+P364, P370+P378, P391, P405, and P501 (click each P-code to see the statement)
Danger
H228 (100%): Flammable solid [Danger Flammable solids]
P203, P210, P240, P241, P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P318, P321, P330, P332+P317, P333+P317, P362+P364, P370+P378, P391, P405, and P501 (click each P-code to see the statement)
危険有害性情報
Regulatory Information
Chemical: 3,5,7-Triaza-1-azoniatricyclo[3.3.1.13,7]decane, 1-(3-chloro-2-propenyl)-, chloride, (Z)-
REACH registered substance: cis-1-(3-chloroallyl)-3,5,7-triaza-1- azoniaadamantane chloride (cis CTAC) (EC: 426-020-3)
Cis-1-(3-chloroallyl)-3,5,7-triaza-1-azoniaadamantane chloride: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationPEC / SN / Other assessments - Common skin sensitisersâhazard classification: Health
Hazards Summary
A mild skin and eye irritant in rabbits; Moderate to severe adverse skin effects but no systemic toxicity observed in repeated-dose dermal studies of rabbits; An established contact sensitizer in humans; [EC: SCCS] May cause moderate eye and mild skin irritation; Powder form is not likely to cause skin sensitization; Aqueous solutions >1% concentration may be weak skin sensitizers; Harmful by skin absorption; [Dow Chemical MSDS] See Quaternium-15.
Hazard Classes and Categories
Flam. Sol. 2 (100%)
Flam. Sol. 2 (100%)
Flammable solid - category 2
Flam. Sol. 2
毒性情報
化学と産業
薬理情報
Metabolism/Metabolites
Formaldehyde may be absorbed following inhalation, oral, or dermal exposure. It is an essential metabolic intermediate in all cells and is produced during the normal metabolism of serine, glycine, methionine, and choline and also by the demethylation of N-, S-, and O-methyl compounds. Exogenous formaldehyde is metabolized to formate by the enzyme formaldehyde dehydrogenase at the initial site of contact. After oxidation of formaldehyde to formate, the carbon atom is further oxidized to carbon dioxide or incorporated into purines, thymidine, and amino acids via tetrahydrofolatedependent one-carbon biosynthetic pathways. Formaldehyde is not stored in the body and is excreted in the urine (primarily as formic acid), incorporated into other cellular molecules, or exhaled as carbon dioxide. Nitrosamines can also enter the body via ingestion, inhalation, or dermal contact. Once in the body, nitrosamines are metabolized by cytochrome P-450 enzymes, which essentially activates them into carcinogens. (L962, A2878, A2879)
用途と製造
Uses
Used as a preservative in cosmetics, hair care products, soaps, and adhesives; [Merck Index] Used as an antimicrobial and as a preservative for adhesives, coatings, resin/latex/polymer emulsions, metalworking fluids, latex paints, textiles/fiber/cordage, pulp and paper coatings, finishes and printing colors, and other industrial products; [Reference #1] Used as a preservative for leather, rubber, and polymers; [EC: SCCS] Permitted for use as an inert ingredient in non-food pesticide products; [EPA]
Metal Machining [Category: Heat or Machine]
Quaternium-15 is used as a preservative in many cosmetics and industrial substances. (L1897)
Household Products
Cosmetics product ingredient: Quaternium 15
Information on 3 consumer products that contain cis-1-(3-chloroallyl)-3,5,7-triaza-1-azoniaadamantane chloride in the following categories is provided:
応用分野
使用Preservative in cosmetics, hair care products, soaps, adhesives.
関連反応
1 件
化合物ノート
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