基本情報
- 標準SMILES
CCCCCCCC[N+](C)(C)CCCCCCCC.[Cl-]- InChIKey
FARBQUXLIQOIDY-UHFFFAOYSA-M- 分子式
- C18H40ClN
- 平均分子量
- 306 g/mol
- 単同位体質量
- 305.284928
名称と識別子
- 優先名称
- Dioctyldimethylammonium chloride
- IUPAC
- dimethyl(dioctyl)azanium chloride
- 現地名
- ジオクチルジメチルアミニウム·クロリド
- 英語名
- Bisoctyl dimethyl ammonium chloride
- 分子式
- C18H40ClN
- 分子量
- 305.97
名称と別名
名称をさらに表示
データベース識別子
- CAS
5538-94-3- PubChem CID
- 62581
- DTXSID
DTXSID6035491- ChEMBL
CHEMBL2357351- ChEBI
CHEBI:183784- UNII
- 0X0RL40Y6H
- EC Number
- 226-901-0
物性
構造計算による物性
- 極性表面積
- 0 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 1
- 回転可能結合数
- 14
- 重原子数
- 20
- 形式電荷
- 0
- 複雑度
- 157
実験および物理化学的性質
Physical Description
Liquid
Viscous liquid; [BDH Laboratory Supplies]
物理化学的性質
- 融点
- 75 °C · 75 °C
- 沸点
- 208.52 ℃[at · 208.52℃[at 101 325 Pa]
- 比重(密度)
- 0.926 · 0.926[at 20℃]
- 蒸気圧
- 0.001 Pa · 0.001Pa at 20℃
- 貯蔵温度
- Refrigerator
- 溶解性
- クロロホルム(微量)、メタノール(微量)
- 外見
- 個体
- 色
- 無色~オフホワイト とろみのあるオイル~ベタベタ
- 水溶解度
- 250 mg/L · 250mg/L at 25℃
- InChI
- InChI=1S/C18H40N.ClH/c1-5-7-9-11-13-15-17-19(3,4)18-16-14-12-10-8-6-2;/h5-18H2,1-4H3;1H/q+1;/p-1
- InChIKey
- FARBQUXLIQOIDY-UHFFFAOYSA-M
- SMILES
- [N+](C)(C)(CCCCCCCC)CCCCCCCC.[Cl-]
- LogP
- 0.1 at · 0.1 at 21℃
- CAS データベース
- 5538 · 5538-94-3(CAS DataBase Reference)
- EPAの化学物質情報
- Dimethyl dioctyl ammonium chloride (5538-94-3)
化学的性質
化学的特性Liquid
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 0.4% (1 of 242) of reports.
Danger
H301 (62.8%): Toxic if swallowed [Danger Acute toxicity, oral];H302 (36.8%): Harmful if swallowed [Warning Acute toxicity, oral];H310 (62.4%): Fatal in contact with skin [Danger Acute toxicity, dermal];H314 (99.6%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H318 (62.4%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H400 (90.1%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard];H410 (57.4%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
P260, P262, P264, P264+P265, P270, P273, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P361+P364, P363, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 242 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 242 reports by companies.;There are 9 notifications provided by 241 of 242 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
危険有害性情報
Regulatory Information
Chemical: 1-Octanaminium, N,N-dimethyl-N-octyl-, chloride
Hazard Traits - Hazard Trait Undefined;Authoritative List - CECBP - Priority Chemicals;Report - if used as a fragrance or flavor ingredient
1-Octanaminium, N,N-dimethyl-N-octyl-, chloride (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Octanaminium, N,N-dimethyl-N-octyl-, chloride (1:1) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
2004/129/EC
Status: Active Update: 27-09-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/24263
1-Octanaminium, N,N-dimethyl-N-octyl-, chloride: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
法規制情報
Regulatory Information
Chemical: 1-Octanaminium, N,N-dimethyl-N-octyl-, chloride
Hazard Traits - Hazard Trait Undefined;Authoritative List - CECBP - Priority Chemicals;Report - if used as a fragrance or flavor ingredient
1-Octanaminium, N,N-dimethyl-N-octyl-, chloride (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Octanaminium, N,N-dimethyl-N-octyl-, chloride (1:1) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
2004/129/EC
Status: Active Update: 27-09-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/24263
1-Octanaminium, N,N-dimethyl-N-octyl-, chloride: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
安全データ
- tsca
- TSCA listed
- ridadr
- 2810
- hs_code
- 29239000
- hazard_class
- 6.1(b)
- packing_group
- III
化学と産業
用途と製造
Uses
Used as an antimicrobial for hard surfaces, laundry, carpets, agricultural equipment, food handling facilities, medical equipment, water storage and purification equipment, swimming pools, industrial water systems (recirculating cooling water, drilling muds, oil well injection, and wastewater), and as a wood preservative; [Reference #1]
Petroleum Production and Refining [Category: Industry];Applying Wood Preservatives [Category: Other];Using Disinfectants or Biocides [Category: Clean];Sewer and Wastewater Treatment [Category: Industry]
General Manufacturing Information
Miscellaneous Manufacturing
1-Octanaminium, N,N-dimethyl-N-octyl-, chloride (1:1): ACTIVE
応用分野
使用Bardac(R) LF is a quaternary ammonium based antimicrobial used as a bacteriostat, disinfectant and/or a microbiocide. Bardac(R) LF is ideal for recirculating water systems where control of undesirable microbes without excessive foam is essential.
上流・下流製品情報
上流原料
サプライヤー50 社
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