기본 정보
- CAS
77031-08-4- 표준 SMILES
CCCCCCCCCCCCCOP(=O)(O)O- InChIKey
GAJQCIFYLSXSEZ-UHFFFAOYSA-N- 분자식
- C13H29O4P
- 평균 분자량
- 280.34 g/mol
개요
Tridecyl acid phosphate appears as a liquid. May severely irritate skin, eyes or mucous membranes.
이름 및 식별자
- 우선 이름
- Monotridecyl phosphate
- IUPAC
- tridecyl dihydrogen phosphate
- 영어명
- 1-Tridecanol, phosphate
- 분자량
- 0
이름 및 동의어
Monotridecyl phosphate5116-94-91-Tridecanol, 1-(dihydrogen phosphate)DTXSID00421691-Tridecanol, dihydrogen phosphateUNII-KNC97HUU04KNC97HUU04EINECS 225-850-1DTXCID8022169MONO-N-TRIDECYL PHOSPHATEPHOSPHORIC ACID MONOTRIDECYL ESTERRefChem:159631
이름 더 보기
225-850-1tridecyl dihydrogen phosphateTridecyl acid phosphateTridecan-1-yl dihydrogen phosphateMFCD1666127077031-08-4SCHEMBL258319CHEMBL3188547
데이터베이스 식별자
- CAS
77031-08-4- ChEMBL
CHEMBL3188547- UNII
- KNC97HUU04
- EC Number
- 225-850-1
- Nikkaji
- J203.311I
물성
구조 계산 물성
- XLogP
- 4.6
- 극성 표면적
- 66.8 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 13
- 무거운 원자 수
- 18
- 형식 전하
- 0
- 복잡도
- 215
실험 및 물리화학적 성질
Endocrine DisruptorsPotential endocrine disrupting compound
Physical DescriptionTridecyl acid phosphate appears as a liquid. May severely irritate skin, eyes or mucous membranes.
Collision Cross Section169.9 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID0042169]
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 1.5% (7 of 452) of reports.
Danger
H314 (98.5%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 452 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory InformationChemical: 1-Tridecanol, 1-(dihydrogen phosphate)
DOT LabelCorrosive
Fire HazardsExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Health HazardsExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Reactive GroupEsters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters
Reactivity Profile
Organophosphates are susceptible to formation of highly toxic and flammable phosphine gas in the presence of strong reducing agents such as hydrides. Partial oxidation by oxidizing agents may result in the release of toxic phosphorus oxides.
Air and Water ReactionsAbout the same density as water and slowly dissolves in water.
Hazard Classes and CategoriesSkin Corr. 1C (98.5%)
화학 및 산업
용도 및 제조
General Manufacturing Information1-Tridecanol, 1-(dihydrogen phosphate): ACTIVE
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