기본 정보
- CAS
4724-47-4- 표준 SMILES
CCCCCCCCCCCCCCCCCCP(=O)(O)O- InChIKey
FTMKAMVLFVRZQX-UHFFFAOYSA-N- 분자식
- C18H39O3P
- 평균 분자량
- 334.5 g/mol
- 단동위원소 질량
- 334.26368174
이름 및 식별자
- 우선 이름
- Phosphonic acid, P-octadecyl-
- IUPAC
- octadecylphosphonic acid
- 영어명
- Octadecylphosphonic acid
- 분자식
- C18H39O3P
- 분자량
- 334.47
이름 및 동의어
Octadecylphosphonic acid4724-47-4Phosphonic acid, octadecyl-Phosphonic acid, P-octadecyl-EINECS 225-216-4DTXSID5063574RefChem:862235DTXCID0040541225-216-4n-octadecylphosphonic acidoctadecyl phosphonic acidODPA
이름 더 보기
Octadecanephosphonic acid1-Octadecylphosphonic acidOctadecylphosphonicAcid>1-Octadecanephosphonic acidOctadecylphosphonic acid 97%n-Octadecylphosphonic acid 97%
MFCD00015838KDX6MSF5PNstearylphosphonic acidUNII-KDX6MSF5PNSCHEMBL107866Octadecylphosphonic acid, >=99%GEO-04391Q7076691
데이터베이스 식별자
- CAS
4724-47-4- PubChem CID
- 78451
- DTXSID
DTXSID5063574- ChEMBL
CHEMBL190741- UNII
- KDX6MSF5PN
- EC Number
- 225-216-4
- Nikkaji
- J262.409E
물성
구조 계산 물성
- XLogP
- 7.2
- 극성 표면적
- 57.5 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 17
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 263
물리화학적 성질
- 녹는점
- 99 ℃ · 99℃
- 끓는 점
- 463.6 · 463.6±28.0 °C(Predicted)
- 밀도
- 0.969 · 0.969
- 저장 조건
- Store at room temperature
- 산도 계수 (pKa)
- 2 · 2+-.0.10(Predicted)
- 물리적 상태
- 수정 같은
- 색상
- 흰색에서 황백색까지
- 수용성
- 물에 불용성.
- 안정성
- 안정적인. 강한 산화제와 호환되지 않습니다.
- InChI
- InChI=1S/C18H39O3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(19,20)21/h2-18H2,1H3,(H2,19,20,21)
- InChIKey
- FTMKAMVLFVRZQX-UHFFFAOYSA-N
- SMILES
- P(CCCCCCCCCCCCCCCCCC)(=O)(O)O
- EPA
- Phosphonic acid, octadecyl- (4724-47-4)
화학적 성질
crystalline solid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (96.9%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 32 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory InformationPhosphonic acid, octadecyl-: 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.
Hazard Classes and CategoriesSkin Irrit. 2 (96.9%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- HS 번호
- 29319090
- 기존화학 물질
- KE-26577
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
General Manufacturing InformationPhosphonic acid, P-octadecyl-: ACTIVE
응용 분야
용도n-Octadecylphosphonic acid is used in thermal paper for receipts, adding machines and tickets. It acts as surfactant, emulsifier, dispersants and chelating agents. Further, it is a long chain phosphonic acid compound utilized for proteomics research. In addition to this, it is used to prepare modified mesoporous magnetic nano particles through Lewis acid/base interaction.
일반 설명Octadecylphosphonic acid (OPA) is used as a self-assembled monolayer that forms a surfactant which strongly bonds with the surface atoms of different metal oxides. It provides hydrophobic properties and covers a higher surface area than the predominantly used silanes.
상·하류 제품 정보
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