Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D
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IDENTITY
结构与身份
- 标准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
- 单同位素质量
- 278.15180918
COMPUTED
结构计算性质
- XLogP
- 5.5
- 极性表面积
- 52.6 Ų
- 氢键供体
- 0
- 氢键受体
- 4
- 可旋转键
- 10
- 重原子
- 20
- 形式电荷
- 0
- 复杂度
- 263
PROPERTIES
实验与物化性质
Physical Description
Liquid
Kovats Retention Index
2066；2058；2060；2058；2060；2066；2066
GHS
GHS分类
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.
HAZARDS
危害信息
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
Hazard Classes and Categories
Not Classified
REGULATORY
法规信息
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
USES
用途与制造
Uses
Plastics -> Typical concentration range in plastic materials -> 10.0 - 35.0%
U.S. Production
2023: 25,000,000 - <75,000,000 lb；2022: 25,000,000 - <75,000,000 lb；2021: 25,000,000 - <75,000,000 lb；2020: 25,000,000 - <75,000,000 lb
Consumer Uses
Not Known or Reasonably Ascertainable
Industry Uses
Plasticizer
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
ALIASES
名称与别名
DIBUTYL TEREPHTHALATE1,4-Benzenedicarboxylic acid, dibutyl esterTerephthalic acid, dibutyl esterNSC 6349butyl terephthalateEINECS 217-803-91,4-Benzenedicarboxylic acid, 1,4-dibutyl esterBRN 21371067O6SH6VN97AI3-11048NSC-6349EC 217-803-9217-803-9RefChem:5865331962-75-01,4-dibutyl benzene-1,4-dicarboxylatedibutyl benzene-1,4-dicarboxylateMFCD00043939dibutylterephthalateDi-n-butylterephthalate
REACTIONS
