염화 디옥틸다이메틸암모늄
Dioctyldimethylammonium chloride
기본 정보
- CAS
5538-94-3- 표준 SMILES
CCCCCCCC[N+](C)(C)CCCCCCCC.[Cl-]- InChIKey
FARBQUXLIQOIDY-UHFFFAOYSA-M- 분자식
- C18H40N.Cl
- 평균 분자량
- 306 g/mol
- 단동위원소 질량
- 305.284928
개요
Dioctyldimethylammonium chloride is a quaternary ammonium salt.
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
5538-94-3Dioctyldimonium chlorideDioctyldimethylammonium chlorideQuerton 28CLDioctyl dimethyl ammonium chlorideDodigen 26171-Octanaminium, N,N-dimethyl-N-octyl-, chlorideAmmonium, dimethyldioctyl-, chlorideDTXSID6035491Dimethyl dioctyl ammonium chlorideRC 56260X0RL40Y6H
이름 더 보기
염화디옥틸다이메틸암모늄염화디옥틸다이메틸암모늄(DIOCTYLDIMETHYLAMMONIUMCHLORIDE)비속틸디메틸염화암모늄Dimethyldioctylammonium chlorideD821Bardac(R) LFBardac(R) LF-70Bardac(R) LF-80Trospium Impurity 6Farnesane Impurity 66Trospium Impurity 4 ChlorideDimethyldioctylammoniumchlorid
dioctyldimethyl ammonium chloridePENTONIUM DO 50BARDAC LF 80SWANOL CA 3080DTXCID4015491DODMAC cpdDODMA-ClRefChem:588733
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
Chemical ClassesNitrogen Compounds -> Quaternary Amines
Pesticides
Bactericides, Fungicides
Active substance -> EU Pesticides database: Not approved
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-]
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
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]
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.
유해성 정보
Regulatory Information
Chemical: 1-Octanaminium, N,N-dimethyl-N-octyl-, chloride
Hazard Traits - Hazard Trait Undefined
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
REACH registered substance: Dimethyldioctylammonium chloride (EC: 226-901-0)
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.
Other Safety InformationIMAP assessments - Mono- and di-alkyl quaternary ammonium surfactants: Environment tier II assessment
Hazards SummaryA severe skin and eye irritant; [Reference #1] A skin and eye irritant; Harmful by ingestion; [BDH Laboratory Supplies] See Didecyl dimethyl ammonium chloride.
Hazard Classes and CategoriesAcute Tox. 3 (62.8%)
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]
U.S. Production2023: <25,000 lb
Consumer UsesSurfactant (surface active agent)
Industry UsesProcessing aids not otherwise specified
Household ProductsInformation on 81 consumer products that contain Dioctyl dimethyl ammonium chloride in the following categories is provided:
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.
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