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Perfluorodecanoic acid

HCID 9555
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
335-76-2
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)F
InChIKey
PCIUEQPBYFRTEM-UHFFFAOYSA-N
분자식
C10HF19O2
평균 분자량
514.08 g/mol
단동위원소 질량
513.9673143

개요

Perfluorodecanoic acid is a liquid. (NTP, 1992)

이름 및 식별자

우선 이름
Perfluorodecanoic acid
IUPAC
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecanoic acid
영어명
Perfluorodecanoic acid
분자식
C10HF19O2
분자량
514.08

이름 및 동의어

Perfluorodecanoic acid335-76-2Nonadecafluorodecanoic acidNdfdaPFDAPerfluoro-N-decanoic acid2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Nonadecafluorodecanoic acidNonadecafluoro-n-decanoic acidPerfluorocapric acidDECANOIC ACID, NONADECAFLUORO-DTXSID3031860W5XW2B8Q9E
이름 더 보기
PERFLUORODECANOATERARECHEM AL BO 0473nonadecafluorodecanoicn-Perfluorodecanoic acid
PFDAADecanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluoro-DTXCID1011860CHEBI:35546PFDA-NanonadecafluorodecanoatatoRefChem:171651PFDA perfluorodecanoic acid

데이터베이스 식별자

CAS
335-76-2
PubChem CID
9555
DTXSID
DTXSID3031860
ChEMBL
CHEMBL1885037
ChEBI
CHEBI:35546
UNII
W5XW2B8Q9E
EC Number

물성

구조 계산 물성

XLogP
6.3
극성 표면적
37.3 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
21
회전 가능 결합 수
8
무거운 원자 수
31
형식 전하
0
복잡도
701

실험 및 물리화학적 성질

Chemical Classes · 3건

Other Classes -> Perfluoroalkyl Acids

Ionic Liquids -> Fluorinated Ionic Liquids

Ionic Liquids

PFAS · 6건

PFAS -> Perfluorocarboxylic acids

PFAS -> Other/unspecified

PFAS

PFAS (C10HF19O2)

PFAS -> PFAS with analytical method available

PFAS -> Other/unspecified

PesticidesPesticide -> EPA IRIS
Density1.707 at 68 °F (NTP, 1992) - Denser than water; will sink
Endocrine DisruptorsPotential endocrine disrupting compound
Boiling Point424 °F at 740 mmHg (NTP, 1992)
Melting Point171 to 174 °F (NTP, 1992)
Vapor Pressure-0.99 ± 0.01 [log Psd at 298.15 K (Pa)]
Physical Description · 2건

Perfluorodecanoic acid is a liquid. (NTP, 1992)

Liquid; [CAMEO] White powder; [Sigma-Aldrich MSDS]

Collision Cross Section

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 6건

Danger

H351: Suspected of causing cancer [Warning Carcinogenicity]

P203, P260, P263, P264, P270, P280, P318, P405, and P501 (click each P-code to see the statement)

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

유해성 정보

Regulatory Information · 4건

Hazard Traits - Bioaccumulation; Environmental Persistence; Reproductive Toxicity

S - indicates a substance that is identified in a final Significant New Use Rule.

Restricted substance: Nonadecafluorodecanoic acid

Substance: Nonadecafluorodecanoic acid

DOT LabelPoison
Fire HazardsFlash point data on this compound are not available. It is probably combustible. (NTP, 1992)
Health HazardsACUTE/CHRONIC HAZARDS: Decomposition products of this compound include carbon monoxide, carbon dioxide, and hydrogen fluoride. It may be harmful by inhalation, ingestion, or skin absorption. (NTP, 1992)
Hazards Summary · 1건

No teratogenicity observed in mice at doses causing maternal toxicity and reduced fetal viability and body weights; [Shepard's Catalog of Teratogenic Agents] A skin and strong eye irritant; Toxic by ingestion; Reproductive toxicity observed in experimental animals; [Sigma-Aldrich MSDS] See Perfluorobutyric acid and Perfluoro-n-nonanoic acid. See Perfluorooctane sulfonic acid.

Reactive GroupAcids, Carboxylic

화학 및 산업

용도 및 제조

Uses · 2건

• Detected in cosmetics [Ref: Schultes2018, Brinch2018]

non-polymer PFAS -> Floor coverings -> Floor polish

Use Classification · 3건

PFAS -> PFcarboxylic acids (PFCA)

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

PFAS

General Manufacturing InformationDecanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluoro-: ACTIVE

응용 분야

용도Perfluorodecanoic acid was used to evaluate the effect of nonadecafluorocapric acid on the levels of six thyroid function variables (thyroid stimulating hormone, free and total thyroxine, free and total triiodothyronine and thyroglobulin).

일반 설명Liquid.

상·하류 제품 정보

하류 제품

Methyl perfluorodecanoate

공급사82 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]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
韶远科技(上海)有限公司4000665055 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

관련 반응

3건
반응 기록 만들기
HRID 185665 반응식
HRID 185665반응물로Training data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 570046 반응식
HRID 570046반응물로uspto-grants-1988_03
HRID 2209865 반응식
HRID 2209865반응물로uspto-grants-1995_10

화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
206-400-3
Nikkaji
J193.776F
· 2건

155.3 Ų [M-H-CO2]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: PFAS]

155.63 Ų [M-H-CO2]-

Enthalpy of Sublimation101.5 ± 1.7 [ΔsubHb (kJ/mol) at 294.3-318.4 K]

물리화학적 성질

녹는점
77 · 77-81 °C (lit.)
끓는 점
218 °C/740 · 218 °C/740 mmHg (lit.)
밀도
1.749 · 1.7490 (estimate)
증기압
10 mm · ~10 mm Hg ( 0 °C)
인화점
218 °C · 218°C
저장 조건
2 · 2-8°C
용해도
10 %, · 메탄올: 가용성 10%, 투명하거나 매우 약간 흐릿함, 무색 내지 희미한 노란색
산도 계수 (pKa)
0.52 · 0.52±0.10(Predicted)
물리적 상태
액체
색상
흰색에서 거의 흰색
BRN
1810811 · 1810811
Henry's Law Constant
2.5 · 2.5×10-2 mol/(m3Pa) at 25℃, Arp et al. (2006)
안정성
안정적인. 강염기, 산화제, 환원제와 호환되지 않습니다.
InChI
1S/C10HF19O2/c11-2(12,1(30)31)3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)29/h(H,30,31)
InChIKey
PCIUEQPBYFRTEM-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)F
EPA
Perfluorodecanoic acid (335-76-2)

화학적 성질

white crystalline powder

Reactivity ProfilePERFLUORODECANOIC ACID is incompatible with strong oxidizing agents. (NTP, 1992)
Air and Water ReactionsNo rapid reaction with air. No rapid reaction with water.
Hazard Classes and Categories · 4건

Acute Tox. 3 (100%)

Carcinogenicity - category 2

Acute toxicity (Oral) - Category 3

Carc. 2

안전 및 보호

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide, or Halon extinguisher. (NTP, 1992)
First Aid · 1건

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1건

SMALL SPILLS AND LEAKAGE: If you spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION. Then, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned. then use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with acetone followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Isolation and EvacuationExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Personal Protective Equipment (PPE) · 1건

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

독성 정보

Target OrgansDevelopmental
EPA IRIS Information · 4건

Perfluorodecanoic Acid (PFDA)

Developmental

2 x 10 ^-9 mg/kg-day

2 x 10 ^-9 mg/kg-day

Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
RAIS Toxicity Values · 4건

2e-09

IRIS Current

2e-09

IRIS Current

USGS Health-Based Screening Levels for Evaluating Water-Quality · 5건

Perfluorodecanoic acid (PFDA)

PFAS

2e-06

Draft value; based on overall chronic RfD from IRIS Toxicological Review (external review draft EPA/635/R-23/056a)

Smith, C.D. and Nowell, L.H., 2024. Health-Based Screening Levels for evaluating water-quality data (3rd ed.). DOI:10.5066/F71C1TWP

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

1.30e-04

1.60e-03

4e-05

(G)

8.1e-08

2e-09

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

3.80e-04

4.90e-03

1.20e-04

2e-09

Volatile

Mutagen

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
HD9900000
ridadr
UN 2811 6.1/PG 2
독성
LD50 orl-rat: 57 mg/kg TXAPA9 85,169,86
HS 번호
29159000
risk_code
25-36/37/38
hazard_code
T,C
safety_code
26-45
포장분류
III
위험 등급
6.1
위험 참고 사항
Corrosive
Hazard Classifications
Acute Tox. 3 OralCarc. 2Lact.Repr. 1B
스토리지 클래스
6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
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安泰精细化工技术有限公司18503026267 · [email protected]
广州市金华大化学试剂有限公司020-84383047 · [email protected]

추가 설명

정의ChEBI: A fluoroalkanoic acid that is perfluorinated decanoic acid.