Perfluoroundecanoic acid (HCID 77222)

개요

Perfluoroundecanoic acid is a fluoroalkanoic acid that is perfluorinated undecanoic acid. It has a role as a xenobiotic and an environmental contaminant. It is functionally related to an undecanoic acid.

이름 및 식별자

우선 이름: Perfluoroundecanoic acid
IUPAC: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-henicosafluoroundecanoic acid
현지명: 퍼플루오로운데카노익 산
영어명: Perfluoroundecanoic acid
분자식: C11HF21O2
분자량: 564.09

이름 및 동의어

Perfluoroundecanoic acid2058-94-8Henicosafluoroundecanoic acid2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-henicosafluoroundecanoic acidPerfluoro-n-undecanoic acidDTXSID8047553Undecanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heneicosafluoro-PFUnDACHEBI:834932,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heneicosafluoroundecanoic acidC11-PFAPFUA compound

이름 더 보기

퍼플루오로운데카노익산헤니코사플루오로언데카노산PFUNAPerfluoroundecanoicacid96%perfluoro-n-undecanoicacidPerfluoroundecanoic acid 96%Perfluorodecanoic acid (PFUnA)HeneicosafluoroundecanoicAcid>

RefChem:171686PFUnA perfluoroundecanoic acidPerfluoroundecanoic acid (PFUA; PFUnDA)218-165-4heneicosafluoroundecanoic acidMFCD00153268PFUdAC11HF21O2

데이터베이스 식별자

CAS: 2058-94-8
PubChem CID: 77222
DTXSID: DTXSID8047553
ChEMBL: CHEMBL3188332
ChEBI: CHEBI:83493
UNII: JPZ6FNL628
EC Number: 218-165-4
Nikkaji: J298.676K

물성

구조 계산 물성

XLogP: 6.9
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 23
회전 가능 결합 수: 9
무거운 원자 수: 34
형식 전하: 0
복잡도: 789

실험 및 물리화학적 성질

Chemical Classes · 2건

Ionic Liquids

Ionic Liquids -> Fluorinated Ionic Liquids

PFAS · 6건

PFAS -> Perfluorocarboxylic acids

PFAS -> Perfluoroalkyl acids (PFAAs)

PFAS -> Other/unspecified

PFAS -> OECD Category

PFAS

Endocrine DisruptorsPotential endocrine disrupting compound

Vapor Pressure-1.65 ± 0.02 [log Psd at 298.15 K (Pa)]

Collision Cross Section · 2건

182.9 Å² [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: PFAS]

266.81 Å² [2M-H]-

Enthalpy of Sublimation110.5 ± 3.0 [ΔsubHb (kJ/mol) at 297.8-332.5 K]

물리화학적 성질

녹는점: 96 · 96-101 °C(lit.)
끓는 점: 160 °C60 · 160 °C60 mm Hg(lit.)
밀도: 1.7568 · 1.7568 (estimate)
인화점: 230 °F · >230 °F
저장 조건: Sealed in dry,Room Temperature
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: powder to crystal
산도 계수 (pKa): 0.52 · 0.52±0.10(Predicted)
색상: 흰색에서 거의 흰색
Henry's Law Constant: 1.3 · 1.3×10-2 mol/(m3Pa) at 25℃, Arp et al. (2006)
InChI: 1S/C11HF21O2/c12-2(13,1(33)34)3(14,15)4(16,17)5(18,19)6(20,21)7(22,23)8(24,25)9(26,27)10(28,29)11(30,31)32/h(H,33,34)
InChIKey: SIDINRCMMRKXGQ-UHFFFAOYSA-N
SMILES: OC(=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)F
EPA: 2 · Undecanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heneicosafluoro- (2058-94-8)

화학적 성질

Perfluoroundecanoic acid exists as a colorless solid. Perfluoroundecanoic acid has the ability to react with oxidizing agents. Upon decomposition, PFUnA can form carbon oxides and hydrogen fluoride.

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 6.7% (3 of 45) of reports.

Warning

H302 (88.9%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Hazard Traits - Bioaccumulation; Environmental Persistence

Restricted substance: Henicosafluoroundecanoic acid

Substance: Henicosafluoroundecanoic acid

Hazard Classes and CategoriesAcute Tox. 4 (88.9%)

독성 정보

Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).

RAIS Toxicity Values · 2건

0.0003

WI Current

Hazard Quotient Level 0.1 or Cancer Risk Level 1E-06 · 6건

1.90e+01

2.50e+02

6.00e+00

4.00e-03

4.50e-02

3.00e-04

Hazard Quotient Level 3 or Cancer Risk Level 1E-04 · 6건

5.70e+01

7.40e+02

1.80e+01

4.00e-03

3.00e-04

Volatile

안전 데이터

wgk: 3
ridadr: 3261
HS 번호: 29159000
risk_code: 20/21/22-36/38
hazard_code: Xn,Xi,C
safety_code: 26-36/37/39
위험 등급: IRRITANT, CORROSIVE
위험 참고 사항: Irritant
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 · 2건

non-polymer PFAS -> Coatings, Paints and Varnishes -> Coatings in general

• Detected in fire-fighter textiles [Ref: Peaslee2020]

Use Classification · 3건

PFAS -> PFcarboxylic acids (PFCA)

PFAS (per- and polyfluoroalkyl substances) -> OECD Category

PFAS

응용 분야 · 2건

용도Perfluoroundecanoic acid (PFUnA, perfluoro-n-undecanoic acid, henicosafluoroundecanoic acid) is an eleven-carbon compound in the perfluoroalkyl family of chemicals. Perfluoroundecanoic acid is used in a variety of applications, including in stain- and grease-proof coatings on food packages, furniture, upholstery, and carpet. Like many other perfluoroalkyl compounds, PFUnA persists in the environment due to its long carbon chain. Some research related to PFUnA has been conducted but additional inquiry is recommended for better understanding of how the chemical interacts with organisms and the environment.

일반 설명Perfluoroundecanoic acid belongs to the class of persistent perfluorinated compounds, found in environmental and biological samples. They are used in various commercial applications such as in firefighting foams, detergents, insecticides, paper, food containers as well as to produce photographic films and manufacture fat- and water-resistant fabrics, etc.

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

湖北万得化工有限公司15377098680 15377098680 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

艾吉析科技（上海）有限公司17717235263 · [email protected]

추가 설명

정의ChEBI: A fluoroalkanoic acid that is perfluorinated undecanoic acid.

연결된 노트

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기본 정보

개요