기본 정보
- 표준 SMILES
CCCCCCCC[N+](C)(C)CCCCCCCC.[Cl-]- InChIKey
FARBQUXLIQOIDY-UHFFFAOYSA-M- 분자식
- C18H40ClN
- 평균 분자량
- 306 g/mol
- 단동위원소 질량
- 305.284928
이름 및 식별자
- 우선 이름
- Dioctyldimethylammonium chloride
- IUPAC
- dimethyl(dioctyl)azanium chloride
- 현지명
- 염화 디옥틸다이메틸암모늄
- 영어명
- Bisoctyl dimethyl ammonium chloride
- 분자식
- C18H40ClN
- 분자량
- 305.97
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
5538-94-3- PubChem CID
- 62581
- DTXSID
DTXSID6035491- ChEMBL
CHEMBL2357351- ChEBI
CHEBI:183784- UNII
- 0X0RL40Y6H
- EC Number
- 226-901-0
물성
구조 계산 물성
- 극성 표면적
- 0 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 14
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 157
실험 및 물리화학적 성질
Physical Description
Liquid
Viscous liquid; [BDH Laboratory Supplies]
물리화학적 성질
- 녹는점
- 75 °C · 75 °C
- 끓는 점
- 208.52 ℃[at · 208.52℃[at 101 325 Pa]
- 밀도
- 0.926 · 0.926[at 20℃]
- 증기압
- 0.001 Pa · 0.001Pa at 20℃
- 저장 조건
- Refrigerator
- 용해도
- 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 고체
- 색상
- 무색~황백색
- 수용성
- 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℃
- EPA
- Dimethyl dioctyl ammonium chloride (5538-94-3)
화학적 성질
Liquid
안전 및 규제
GHS 분류
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.
유해성 정보
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.
규제 정보
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.
안전 데이터
- tsca
- TSCA listed
- ridadr
- 2810
- HS 번호
- 29239000
- 포장분류
- III
- 위험 등급
- 6.1(b)
- 기존화학 물질
- KE-11982
화학 및 산업
용도 및 제조
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
응용 분야
용도Bardac(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.
상·하류 제품 정보
상류 원료
공급사50 곳
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