基本情報
- 標準SMILES
COC(=O)CCC(=O)OC.COC(=O)CCCC(=O)OC.COC(=O)CCCCC(=O)OC- InChIKey
QYMFNZIUDRQRSA-UHFFFAOYSA-N- 分子式
- C21H36O12
- 平均分子量
- 480.5 g/mol
- 単同位体質量
- 480.22067658
名称と識別子
- 優先名称
- Hexanedioic acid, 1,6-dimethyl ester, mixt. with 1,4-dimethyl butanedioate and 1,5-dimethyl pentanedioate
- IUPAC
- dimethyl butanedioate;dimethyl hexanedioate;dimethyl pentanedioate
- 現地名
- DBE二塩基酸エステル
- 英語名
- DIBASIC ESTER
- 分子式
- C21H36O12
- 分子量
- 480.51
名称と別名
名称をさらに表示
データベース識別子
- CAS
95481-62-2- PubChem CID
- 125339
- EC Number
- 619-131-5、937-156-2
物性
構造計算による物性
- 極性表面積
- 158 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 12
- 回転可能結合数
- 18
- 重原子数
- 33
- 形式電荷
- 0
- 複雑度
- 374
物理化学的性質
- 融点
- -20 °C · -20°C
- 沸点
- 196 · 196-225 °C(lit.)
- 比重(密度)
- 1.19 g/mL · 1.19 g/mL at 25 °C(lit.)
- 蒸気圧
- 0.2 mm · 0.2 mm Hg ( 20 °C)
- 屈折率
- 20 · n20/D 1.424(lit.)
- 闪点
- 212 °F · 212 °F
- 貯蔵温度
- 30 °C · Store below +30°C.
- 外見
- liquid
- 爆発限界(explosive limit)
- 8 % · 8%
- 水溶解度
- 53 g/L · 53g/L
- InChI
- InChI=1S/C8H14O4.C7H12O4.C6H10O4/c1-11-7(9)5-3-4-6-8(10)12-2;1-10-6(8)4-3-5-7(9)11-2;1-9-5(7)3-4-6(8)10-2/h3-6H2,1-2H3;3-5H2,1-2H3;3-4H2,1-2H3
- InChIKey
- QYMFNZIUDRQRSA-UHFFFAOYSA-N
- SMILES
- C(=O)(OC)CCC(=O)OC.C(C(=O)OC)CCCC(=O)OC.C(C(=O)OC)CCC(=O)OC
- EPAの化学物質情報
- Hexanedioic acid, dimethyl ester, mixt. with dimethyl butanedioate and dimethyl pentanedioate (95481-62-2)
安全と法規制
GHS分類
GHS Classification
Warning
H302 (93.3%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 15 reports by companies from 2 notifications to the ECHA C&L Inventory.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Not Classified;Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.
危険有害性情報
Regulatory Information
Hexanedioic acid, dimethyl ester, mixt. with dimethyl butanedioate and dimethyl pentanedioate is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hexanedioic acid, dimethyl ester, mixt. with dimethyl butanedioate and dimethyl pentanedioate are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Hazard Classes and Categories
Acute Tox. 4 (93.3%)
Not Classified
法規制情報
Regulatory Information
Hexanedioic acid, dimethyl ester, mixt. with dimethyl butanedioate and dimethyl pentanedioate is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hexanedioic acid, dimethyl ester, mixt. with dimethyl butanedioate and dimethyl pentanedioate are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
安全データ
- wgk
- 3
- ridadr
- UN 3265 8/PG 3
- hs_code
- 3824 99 92
- risk_code
- 38-41-36-36/37/38-3
- 消防法
- 第3石油類非水溶性
- hazard_code
- Xi,E
- safety_code
- 26-36-39-35
- 自然発火温度
- 698 °F
- ストレージクラス
- 10 - Combustible liquids
化学と産業
用途と製造
応用分野
解説1分子中に電離して水素イオンとなる水素原子を2個含む酸,すなわち価数2の酸.たとえば硫酸H2SO4,シュウ酸>H2C2O4
用途缶用塗料溶剤、水溶性塗料、マグネットワイヤー、塗料剥離剤、可塑剤、紙力増強剤。
使用Dibasic ester was commonly used as lubricants, solvents, plasticizers, additives, and spin finishes. It acts as a coating agent for magnet and enamel wires, magnetic memory discs, automobiles, coils, cans, sheets, industrial paint, et cetera.
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