기본 정보
- 표준 SMILES
O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F- InChIKey
ZTSDOGSKTICNPQ-UHFFFAOYSA-N- 분자식
- C17F35COOH
- 평균 분자량
- 914.1 g/mol
- 단동위원소 질량
- 913.94176697
이름 및 식별자
- 우선 이름
- Perfluorooctadecanoic acid
- IUPAC
- 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-pentatriacontafluorooctadecanoic acid
- 현지명
- 퍼포로옥시데카데노산
- 영어명
- Perfluorooctadecanoic acid
- 분자식
- C18HF35O2
- 분자량
- 914.14
이름 및 동의어
Perfluorooctadecanoic acid16517-11-6Perfluorostearic acidOctadecanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-pentatriacontafluoro-DTXSID1066071RefChem:1113568240-582-5pentatriacontafluorooctadecanoic acidOctadecanoic acid, pentatriacontafluoro-PerfluorooctadecanoicacidPFODA2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-pentatriacontafluorooctadecanoic acid
이름 더 보기
퍼포로옥시데카데노산PerfluorooctadecanoicPerfluorooctadecanoicacid97%Perfluorooctadecanoic acid 97%Pentatriacontafluorostearic acidperfluoroheptadecacarboxylic acidpentatriacontafluoro-octadecanoicaci
PFOcDAPERFLUOROOCTADECANOATEPerfluoro-n-octadecanoic acidPerfluorooctadecanoic acid (PFODA)Perfluorooctadecanoi?c AcidPerfluorooctadecanoic acid 50 microg/mL in Methanol:WaterC18HF35O2EINECS 240-582-5
데이터베이스 식별자
- CAS
16517-11-6、798556-82-8- PubChem CID
- 167547
- DTXSID
DTXSID1066071- EC Number
- 240-582-5
- Nikkaji
- J318.227D
물성
구조 계산 물성
- XLogP
- 11.6
- 극성 표면적
- 37.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 37
- 회전 가능 결합 수
- 16
- 무거운 원자 수
- 55
- 형식 전하
- 0
- 복잡도
- 1,440
실험 및 물리화학적 성질
PFAS
PFAS -> Perfluorocarboxylic acids
PFAS -> OECD Category
PFAS -> Other/unspecified
PFAS -> Other/unspecified
PFAS -> Other/unspecified
PFAS (C18HF35O2)
Collision Cross Section
243.5 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: PFAS]
243.53 Ų [M-H]-
물리화학적 성질
- 녹는점
- 162 · 162-164°C
- 끓는 점
- 235 °C · 235°C 100mm
- 밀도
- 1.786 · 1.786±0.06 g/cm3(Predicted)
- 인화점
- 235 °C/100mm · 235°C/100mm
- 저장 조건
- -20 °C · -20°C Freezer, Under inert atmosphere
- 용해도
- DMSO(아주 약간 용해됨, 가열됨)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 0.52 · 0.52±0.10(Predicted)
- 색상
- 흰색에서 황백색까지
- 수용성
- 물에 불용성.
- 주요 응용
- 환경
- InChIKey
- ZTSDOGSKTICNPQ-UHFFFAOYSA-N
- SMILES
- FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O
- EPA
- Octadecanoic acid, pentatriacontafluoro- (16517-11-6)
안전 및 규제
GHS 분류
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Hazard Traits - Hazard Trait Undefined
S - indicates a substance that is identified in a final Significant New Use Rule.
Hazard Classes and CategoriesSkin Corr. 1B (100%)
독성 정보
RAIS Toxicity Values
0.04
WI Current
Hazard Quotient Level 0.1 or Cancer Risk Level 1E-06
2.50e+03
3.30e+04
8.00e+02
1.0E-02(G)
2.20e+02
4.00e-02
Hazard Quotient Level 3 or Cancer Risk Level 1E-04
7.60e+03
9.80e+04
2.40e+03
1.0E-02 (G)
4.00e-02
Volatile
안전 데이터
- wgk
- WGK 3
- tsca
- TSCA listed
- ridadr
- 3261
- HS 번호
- 2915907098
- risk_code
- 34
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- 포장분류
- II
- 위험 등급
- 8
- 위험 참고 사항
- Corrosive
- Hazard Classifications
- Acute Tox. 4 InhalationAcute Tox. 4 OralCarc. 2Eye Dam. 1Lact.Repr. 1BSTOT RE 1
- 스토리지 클래스
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
화학 및 산업
용도 및 제조
Uses
• Detected in ski wax [Ref: Plassmann2013]
non-polymer PFAS -> Sports articles -> Ski wax
Use Classification
PFAS -> PFcarboxylic acids (PFCA)
PFAS (per- and polyfluoroalkyl substances) -> OECD Category
General Manufacturing InformationOctadecanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-pentatriacontafluoro-: ACTIVE
응용 분야
용도Perfluorooctadecanoic acid is a contaminant found in source water and treated drinking water from 25 drinking water treatment plants. It can also be found in discarded carpet and clothing in landfill leachate under biological active and abiotic conditions.
공급사30 곳
艾吉析科技（上海）有限公司17717235263 · [email protected]
广州佳途科技股份有限公司81960175 18933936954 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
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阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
山东洛克化工有限公司17653113209 13065062079 · [email protected]
上海稳同科技有限公司02151600108 13062666369 · [email protected]
上海毕楷科技有限公司18516304666
山东智尚新材料有限公司+8617653113209 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
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