基本情報
- CAS
1962-75-0- 標準SMILES
CCCCOC(=O)c1ccc(C(=O)OCCCC)cc1- InChIKey
LQLQDKBJAIILIQ-UHFFFAOYSA-N- 分子式
- C16H22O4
- 平均分子量
- 278.34 g/mol
- 単同位体質量
- 278.15180918
名称と識別子
- 優先名称
- Dibutyl terephthalate
- IUPAC
- dibutyl benzene-1,4-dicarboxylate
- 現地名
- 1,4-ベンゼンジカルボン酸ジブチル
- 英語名
- dibutyl terephthalate
- 分子式
- C16H22O4
- 分子量
- 278.34
名称と別名
名称をさらに表示
データベース識別子
- CAS
1962-75-0- PubChem CID
- 16066
- DTXSID
DTXSID3022168- ChEBI
CHEBI:180625- UNII
- 7O6SH6VN97
- EC Number
- 217-803-9
- Nikkaji
- J61.324J
物性
構造計算による物性
- XLogP
- 5.5
- 極性表面積
- 52.6 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 4
- 回転可能結合数
- 10
- 重原子数
- 20
- 形式電荷
- 0
- 複雑度
- 263
実験および物理化学的性質
物理化学的性質
- 融点
- 16 ℃ · 16℃
- 沸点
- 381.16 °C · 381.16°C (rough estimate)
- 比重(密度)
- 1.053 · 1.053
- 屈折率
- 1.463 · 1.463 (45 ºC)
- 貯蔵温度
- Refrigerator
- 溶解性
- クロロホルム(微量)、メタノール(微量)
- 外見
- 油
- 色
- 無色
- 水溶解度
- 5 μg/L · 5μg/L at 25℃
- InChI
- InChI=1S/C16H22O4/c1-3-5-11-19-15(17)13-7-9-14(10-8-13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3
- InChIKey
- LQLQDKBJAIILIQ-UHFFFAOYSA-N
- SMILES
- C1(C(OCCCC)=O)=CC=C(C(OCCCC)=O)C=C1
- EPAの化学物質情報
- Dibutyl terephthalate (1962-75-0)
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 97.5% (117 of 120) of all reports.
Not Classified;Reported as not meeting GHS hazard criteria by 117 of 120 companies (only 2.5% companies provided GHS information). For more detailed information, please visit ECHA C&L website.
Aggregated GHS information provided per 120 reports by companies from 3 notifications to the ECHA C&L Inventory.;Reported as not meeting GHS hazard criteria per 117 of 120 reports by companies.;There are 2 notifications provided by 3 of 120 reports by companies with hazard statement code(s).;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.
危険有害性情報
Regulatory Information
1,4-Benzenedicarboxylic acid, 1,4-dibutyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,4-Benzenedicarboxylic acid, 1,4-dibutyl ester 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)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 25-07-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/12538
法規制情報
Regulatory Information
1,4-Benzenedicarboxylic acid, 1,4-dibutyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,4-Benzenedicarboxylic acid, 1,4-dibutyl ester 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)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 25-07-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/12538
安全データ
- tsca
- TSCA listed
化学と産業
用途と製造
Use Classification
Plastics -> Polymer Type -> PUR; PVC (soft)
Plastics -> Plasticisers
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
1,4-Benzenedicarboxylic acid, 1,4-dibutyl ester: ACTIVE
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