トリコサフルオロドデカン酸

Perfluorododecanoic acid

HCID 67545CAS 307-55-1
部分構造検索類似構造を探す

基本情報

標準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
分子式
C11F23COOH
平均分子量
614.1 g/mol
単同位体質量
613.96092833

概要

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.

名称と識別子

優先名称
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
現地名
トリコサフルオロドデカン酸
英語名
Perfluorododecanoic acid
分子式
C12HF23O2
分子量
614.1

名称と別名

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
名称をさらに表示
ペルフルオロドデカン酸2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-トリコサフルオロドデカン酸トリコサフルオロドデカン酸パーフルオロドデカン酸トリコサフルオロラウリン酸パーフルオロラウリン酸パーフルオロドデカン酸, 96%ペルフルオロ-ｎ-ドデカン酸Tricosafluorododecanoic 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

データベース識別子

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

物性

構造計算による物性

XLogP
7.6
極性表面積
37.3 Ų
水素結合供与体数
1
水素結合受容体数
25
回転可能結合数
10
重原子数
37

実験および物理化学的性質

Chemical Classes · 2 件

Ionic Liquids

Ionic Liquids -> Fluorinated Ionic Liquids

PFAS · 6 件

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 · 2 件

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

172.25 Ų [M-H-CO2]-

物理化学的性質

融点
105 · 105-108 °C (lit.)
沸点
245 °C/740 · 245 °C/740 mmHg (lit.)
比重(密度)
1.7633 · 1.7633 (estimate)
闪点
245 °C · 245°C
貯蔵温度
Refrigerator
溶解性
クロロホルム（微量、加熱）、メタノール（微量）
化学的性質 · 1 件

化学的特性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.

安全と法規制

GHS分類

GHS Classification · 5 件

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

危険有害性情報

Regulatory Information · 4 件

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%)

毒性情報

RAIS Toxicity Values · 2 件

5e-05

WI Current

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

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 · 6 件

9.50e+00

1.20e+02

3.00e+00

5e-05

Volatile

Mutagen

安全データ

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

化学と産業

用途と製造

Uses · 2 件

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

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

Use Classification · 2 件

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
応用分野 · 3 件

用途フッソ樹脂の製造・添加物

用途有機合成原料。

使用Perfluorododecanoic 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.

上流・下流製品情報

サプライヤー50 社

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]
補足説明 · 1 件

定義ChEBI: 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.

関連反応

1 件
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