Perfluorotetradecanoic acid (HCID 67822)

名称と識別子

優先名称: Perfluorotetradecanoic acid
IUPAC: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptacosafluorotetradecanoic acid
現地名: ヘプタコサフルオロテトラデカン酸
英語名: PERFLUOROTETRADECANOIC ACID
分子式: C14HF27O2
分子量: 714.11

名称と別名

Perfluorotetradecanoic acid376-06-7Heptacosafluorotetradecanoic acidPerfluoromyristic acidTetradecanoic acid, heptacosafluoro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptacosafluorotetradecanoic acidDTXSID3059921PFTA perfluorotetradecanoic acidPFTreA perfluorotetradecanoic acidPerfluorotetradecanoic acid (PFTeDA)Tetradecanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptacosafluoro-RefChem:171680

名称をさらに表示

ペルフルオロテトラデカン酸ヘプタコサフルオロテトラデカン酸2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-ヘプタコサフルオロテトラデカン酸パーフルオロテトラデカン酸パーフルオロテトラデカン酸, 96%パーフルオロテトラデカン酸, min. 97%Perfluorotetradecanoicacid97%PERFLUOROTETRADECANOIC ACID,NAPerfluorotetradecanoic acid,95%Perfluorotetradecanoic acid 97%Perfluorotetradecanoic acid 97%heptacosafluoro-tetradecanoicaci

206-803-4PFTeDAPFTreAPFTeAMFCD00153263Perfluorotetradecano?ic AcidPerfluorotetradecano?ic Acid (50?g/mL in Methanol)C14HF27O2

データベース識別子

CAS: 376-06-7
PubChem CID: 67822
DTXSID: DTXSID3059921
UNII: CY7BGN3727
EC Number: 206-803-4
Nikkaji: J213.588D

物性

構造計算による物性

XLogP: 9
極性表面積: 37.3 Å²
水素結合供与体数: 1
水素結合受容体数: 29
回転可能結合数: 12
重原子数: 43
形式電荷: 0
複雑度: 1,060

実験および物理化学的性質

Chemical Classes · 2 件

Ionic Liquids -> Fluorinated Ionic Liquids

Ionic Liquids

PFAS · 6 件

PFAS -> Perfluorocarboxylic acids

PFAS -> Identified in migrating and extractable food contact chemical data

PFAS -> PFAS with analytical method available

PFAS -> non-polymer

PFAS -> PFcarboxylic acids (PFCA)

PFAS -> Perfluoroalkyl acids (PFAAs)

Collision Cross Section · 2 件

187.6 Å² [M-H-CO2]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: PFAS]

302.02 Å² [2M-H]-

物理化学的性質

融点: 130 · 130-135 °C(lit.)
沸点: 270 °C740 · 270 °C740 mm Hg(lit.)
比重(密度): 0.89 · 0.89
闪点: 192 °C/60mm · 192°C/60mm
貯蔵温度: -20 °C · -20°C Freezer
溶解性: クロロホルム（わずかに、加熱、超音波処理）、メタノール（わずかに、超音波処理）
酸解離定数(Pka): 0.52 · 0.52±0.10(Predicted)
外見: 個体
色: 白い
水溶解度: 水に不溶です。
BRN: 1811438 · 1811438
Henry's Law Constant: 1.6 · 1.6×10-3 mol/(m3Pa) at 25℃, Plassmann et al. (2011)
InChI: 1S/C14HF27O2/c15-2(16,1(42)43)3(17,18)4(19,20)5(21,22)6(23,24)7(25,26)8(27,28)9(29,30)10(31,32)11(33,34)12(35,36)13(37,38)14(39,40)41/h(H,42,43)
InChIKey: RUDINRUXCKIXAJ-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)C(F)(F)C(F)(F)C(F)(F)F
CAS データベース: 376 · 376-06-7(CAS DataBase Reference)
EPAの化学物質情報: Perfluorotetradecanoic acid (376-06-7)

化学的性質

化学的特性off-white crystalline powder

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 33.3% (3 of 9) of reports.

Danger

H302+H332 (11.1%): Harmful if swallowed or if inhaled [Warning Acute toxicity, oral; acute toxicity, inhalation]

P203, P260, P261, P263, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P318, P319, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 9 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 5 件

Hazard Traits - Bioaccumulation; Environmental Persistence

Hazard Traits - Hazard Trait Undefined

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

Restricted substance: Heptacosafluorotetradecanoic acid

Substance: Heptacosafluorotetradecanoic acid

Hazard Classes and CategoriesAcute Tox. 4 (11.1%)

毒性情報

RAIS Toxicity Values · 2 件

0.001

WI Current

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

6.30e+01

8.20e+02

2.00e+01

4.00e-03

9.40e+00

1.00e-03

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

1.90e+02

2.50e+03

6.00e+01

4.00e-03

1.00e-03

Volatile

安全データ

wgk: 3
tsca: TSCA listed
ridadr: 3261
hs_code: 29159000
risk_code: 34
化審法: 監視化学物質
hazard_code: C
hazard_note: Corrosive
safety_code: 26-36/37/39-45-24/25
hazard_class: 8
packing_group: II
Hazard Classifications: Acute Tox. 4 InhalationAcute Tox. 4 OralCarc. 2Eye Dam. 1Lact.Repr. 1BSTOT RE 1
ストレージクラス: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

化学と産業

用途と製造

Uses · 2 件

• Detected in cosmetics [Ref: https://www2.mst.dk/Udgiv/publications/2018/10/978-87-93710-94-8.pdf]

non-polymer PFAS -> Personal Care products and cosmetics -> Lip balm/lip stick/lip gloss

Use Classification · 2 件

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

PFAS -> PFcarboxylic acids (PFCA)

General Manufacturing InformationTetradecanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptacosafluoro-: ACTIVE

応用分野 · 4 件

用途フッソ樹脂の製造・添加物

用途有機合成原料。

使用Perfluorotetradecanoic acid is used for GC (Gas Chromatography) and LC (Liquid Chromatography) analysis.

一般的な説明Perfluorotetradecanoic acid belongs to the class of perfluorinated compounds, which are found to be persistent in the environment with bioaccumulative potential. It is used in various commercial applications, including firefighting foams, detergents, insecticides, paper, food containers, as well as to produce photographic films and manufacture fat- and wate-resistant fabrics, etc.

上流・下流製品情報

上流原料

ミリスチン酸無水物ミリスチン酸

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]

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [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]

ヘプタコサフルオロテトラデカン酸

基本情報