기본 정보
- CAS
7377-03-9- 표준 SMILES
CCCCCCCC(=O)NO- InChIKey
RGUVUPQQFXCJFC-UHFFFAOYSA-N- 분자식
- C8H17NO2
- 평균 분자량
- 159.23 g/mol
- 단동위원소 질량
- 159.12592879
개요
used as ruminal urease inhibitor; structure; RN given refers to unlabeled parent cpd
이름 및 식별자
- 우선 이름
- Octanohydroxamic acid
- IUPAC
- N-hydroxyoctanamide
- 현지명
- 카프릴하이드록사믹애씨드
- 영어명
- Octanohydroxamic Acid
- 분자식
- C8H17NO2
- 분자량
- 159.23
이름 및 동의어
OCTANOHYDROXAMIC ACIDN-Hydroxyoctanamide7377-03-9Caprylohydroxamic acidOctanamide, N-hydroxy-Caprylhydroxamic acidOctanoylhydroxamic acidUPY805K99WDTXSID8074609RefChem:167792DTXCID5047582230-936-7
이름 더 보기
카프릴하이드록사믹애씨드CAPRYLHYDROXAMIChydroximic acidn-hydroxy-octanamidHOHA
Taselinoctanehydroxamic acidMFCD00143918OctanohydroxamsaeureOctanohydroximic acidCaprylohydroxamicacidEINECS 230-936-7BRN 1703666
데이터베이스 식별자
- CAS
7377-03-9- PubChem CID
- 23846
- DTXSID
DTXSID8074609- UNII
- UPY805K99W
- EC Number
- 230-936-7
- Nikkaji
- J10.697F
물성
구조 계산 물성
- XLogP
- 1.3
- 극성 표면적
- 49.3 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 104
실험 및 물리화학적 성질
CosmeticsCosmetic ingredients (Caprylhydroxamic Acid) -> CIR (Cosmetic Ingredient Review)
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
물리화학적 성질
- 녹는점
- 78 °C · 78°C
- 밀도
- 0.97 · 0.970
- 저장 조건
- Keep in dark place,Sealed in dry,Room Temperature
- 용해도
- 클로로포름(약간 용해됨), DMSO(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 9.56 · 9.56±0.20(Predicted)
- 색상
- 흰색에서 황백색까지
- 화장품 원료 기능
- 킬레이팅
- InChI
- InChI=1S/C8H17NO2/c1-2-3-4-5-6-7-8(10)9-11/h11H,2-7H2,1H3,(H,9,10)
- InChIKey
- RGUVUPQQFXCJFC-UHFFFAOYSA-N
- SMILES
- C(NO)(=O)CCCCCCC
- EPA
- Octanamide, N-hydroxy- (7377-03-9)
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 96% (143 of 149) of all reports.
Not Classified
Aggregated GHS information provided per 149 reports by companies from 4 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: Octanamide, N-hydroxy-
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: N-hydroxyoctanamide (EC: 230-936-7)
Caprylhydroxamic acid: 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 InformationEvaluation - Octanamide, N-Hydroxy-
Hazard Classes and CategoriesNot Classified
독성 정보
Toxicity SummarySafe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org
안전 데이터
- wgk
- WGK 3
- tsca
- TSCA listed
- rtecs
- RG9900500
- HS 번호
- 2928.00.5000
- risk_code
- 36/37/38
- safety_code
- 26-36/37/39
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
UsesCIR ingredient: Caprylhydroxamic Acid
Household ProductsInformation on 15 consumer products that contain Caprylhydroxamic Acid in the following categories is provided:
General Manufacturing InformationOctanamide, N-hydroxy-: ACTIVE
응용 분야
개요Octanohydroxamic acid (OHA), the more common hydroxamate collector, has both an acid group (single bondNHOH) and basic group (single bond CO). The hydrogen in the acid group can be replaced by a metal ion and a dative bond from the basic group to form a chelate. Improved monazite flotation performance was reported when using OHA compared to the results obtained with sodium oleate. Flotation separation of monazite and calcite using OHA has been described in previous publications. OHA was the most potent urease inhibitor among saturated hydroxamic acid (HAs) with a calculated IC50 of 0.25±0.1mM compared to 8.67±1.3 and 0.50±0.2mM for Acetohydroxamic acid and heptanohydroxamic acid, respectively. Further increase in the chain length from 8 to 12 carbons negatively affected the potency of HAs[1].
용도Octanohydroxamic Acid is used in preparation of Caprylohydroxamic Acid.
상·하류 제품 정보
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