트리코사플루오로도데칸산

Perfluorododecanoic acid

HCID 67545CAS 307-55-1
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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)F
InChIKey
CXGONMQFMIYUJR-UHFFFAOYSA-N
분자식
C11F23COOH
평균 분자량
614.1 g/mol
단동위원소 질량
613.96092833

개요

Perfluorododecanoic acid is a fluoroalkanoic acid that is dodecanoic acid in which all of the hydrogens attached to carbon atoms are replaced by fluorines. It is a highly persistent, bioaccumulative breakdown product of stain- and grease-proof coatings on food packaging, soft furnishings and carpets. It has a role as an environmental contaminant. It is functionally related to a dodecanoic acid.

이름 및 식별자

우선 이름
Perfluorododecanoic acid
IUPAC
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosafluorododecanoic acid
현지명
트리코사플루오로도데칸산
영어명
Perfluorododecanoic acid
분자식
C12HF23O2
분자량
614.1

이름 및 동의어

Perfluorododecanoic acid307-55-1Tricosafluorododecanoic acidPerfluorolauric acidDodecanoic acid, tricosafluoro-PFDoAPFDoDA2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-Tricosafluorododecanoic acidPFDoA cpdPFDoA, C12Dodecanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosafluoro-n-C11F23COOH
이름 더 보기
트리코사플루오로도데칸산페르플루오로도디캐노산과불화도데칸산Tricosafluorododecanoic Acid StandardTricosafluorolauric AcidPerfluorododecanoicacid96%n-Perfluorododecanoic acidtricosafluoro-dodecanoicaci
P6G1J7NM2Dn-C11F23CO2HC11F23COOHC11F23CO2HDTXSID8031861CHEBI:906332,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-TRICOSAFLUORODODECANOIC ACIDRefChem:171654

데이터베이스 식별자

CAS
307-55-1
PubChem CID
67545
DTXSID
DTXSID8031861
ChEBI
CHEBI:90633
UNII
P6G1J7NM2D
EC Number
206-203-2
Nikkaji
J111.002K

물성

구조 계산 물성

XLogP
7.6
극성 표면적
37.3 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
25
회전 가능 결합 수
10
무거운 원자 수
37

실험 및 물리화학적 성질

Chemical Classes · 2건

Ionic Liquids

Ionic Liquids -> Fluorinated Ionic Liquids

PFAS · 6건

PFAS -> Perfluorocarboxylic acids

PFAS -> Perfluoroalkyl acids (PFAAs)

PFAS

PFAS -> OECD Category

PFAS -> Other/unspecified

PFAS -> Other/unspecified

Endocrine DisruptorsPotential endocrine disrupting compound
Collision Cross Section · 2건

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

172.25 Ų [M-H-CO2]-

물리화학적 성질

녹는점
105 · 105-108 °C (lit.)
끓는 점
245 °C/740 · 245 °C/740 mmHg (lit.)
밀도
1.7633 · 1.7633 (estimate)
인화점
245 °C · 245°C
저장 조건
Refrigerator
용해도
클로로포름(약간 용해됨, 가열), 메탄올(약간 용해됨)
화학적 성질 · 1건

Perfluorododecanoic acid (PFDoA, tricosafluorododecanoic acid, perfluoric acid, tricosafluorolauric acid) exists as solid white, fine crystals. Perfluorododecanoic acid may be incompatible with strong oxidizers. Upon decomposition, PFDoA can form carbon monoxide, carbon dioxide, and hydrogen fluoride.

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H314 (11.1%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, 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.

Not Classified

유해성 정보

Regulatory Information · 4건

Hazard Traits - Bioaccumulation; Environmental Persistence

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

Restricted substance: Tricosafluorododecanoic acid

Substance: Tricosafluorododecanoic acid

Hazard Classes and CategoriesSkin Corr. 1B (11.1%)

독성 정보

RAIS Toxicity Values · 2건

5e-05

WI Current

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

3.20e+00

4.10e+01

1.00e+00

(G)

1.70e-01

5e-05

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

9.50e+00

1.20e+02

3.00e+00

5e-05

Volatile

Mutagen

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
JR3740000
ridadr
3261
HS 번호
29159000
risk_code
36/37/38

화학 및 산업

용도 및 제조

Uses · 2건

non-polymer PFAS -> Personal Care products and cosmetics -> Sunscreen

• Detected in food packaging materials [Ref: doi:10.1007/s11356-013-1596-y]

Use Classification · 2건

PFAS -> PFcarboxylic acids (PFCA)

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

General Manufacturing InformationDodecanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosafluoro-: ACTIVE
응용 분야 · 1건

용도Perfluorododecanoic acid is a twelve-carbon compound in the perfluoroalkyl family of chemicals. It is a byproduct of stain- and greaseproof coatings on food packages, furniture, and carpets. It is known to bioaccumulate in the environment, although research related to the toxicity of the chemical is scarce.

상·하류 제품 정보

상류 원료

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]
艾吉析科技（上海）有限公司17717235263 · [email protected]
常州新氟化学有限公司13275212658 · [email protected]
广州佳途科技股份有限公司81960175 18933936954 · [email protected]
추가 설명 · 1건

정의ChEBI: A fluoroalkanoic acid that is dodecanoic acid in which all of the hydrogens attached to carbon atoms are replaced by fluorines. It is a highly persistent, bioaccumulative breakdown product of stain- and grease-proof coatings on food packaging, soft furnish ngs and carpets.

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