Basic information
- CAS
1962-75-0- Standard SMILES
CCCCOC(=O)c1ccc(C(=O)OCCCC)cc1- InChIKey
LQLQDKBJAIILIQ-UHFFFAOYSA-N- Molecular formula
- C16H22O4
- Average molar mass
- 278.34 g/mol
- Monoisotopic mass
- 278.15180918
Names & identifiers
- Preferred name
- Dibutyl terephthalate
- IUPAC
- dibutyl benzene-1,4-dicarboxylate
- English name
- dibutyl terephthalate
- Molecular formula
- C16H22O4
- Molecular weight
- 278.34
Names & synonyms
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 217-803-9
Show more names
1,4-Benzenedicarboxylic acid dibutyl esterMethyl 2-methylhexanonateTerephthalic acid dibutyl esteributylbenzene-1,4-dicarboxylateDibutyl terephthalate - [D70853]
217-803-9RefChem:5865331962-75-01,4-dibutyl benzene-1,4-dicarboxylatedibutyl benzene-1,4-dicarboxylateMFCD00043939dibutylterephthalateDi-n-butylterephthalate
Database identifiers
- CAS
1962-75-0- PubChem CID
- 16066
- DTXSID
DTXSID3022168- ChEBI
CHEBI:180625- UNII
- 7O6SH6VN97
- EC Number
- 217-803-9
- Nikkaji
- J61.324J
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 263
Experimental & physicochemical properties
Physical DescriptionLiquid
Kovats Retention Index2066；2058；2060；2058；2060；2066；2066
Physicochemical properties
- Melting point
- 16 ℃ · 16℃
- Boiling point
- 381.16 °C · 381.16°C (rough estimate)
- Density
- 1.053 · 1.053
- refractive index
- 1.463 · 1.463 (45 ºC)
- storage temp.
- Refrigerator
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Oil
- color
- Colourless
- Water Solubility
- 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
- FDA UNII
- 7 O6SH6VN97 · 7O6SH6VN97
- EPA Substance Registry System
- Dibutyl terephthalate (1962-75-0)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H412-H319
- Precautionary statements
- 273 · P273-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- TSCA
- TSCA listed
- REACH Registrations
- Active
Safety & regulation
GHS classification
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.
Hazard information
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 CategoriesNot Classified
Regulatory information
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
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H412-H319
- REACH Registrations
- Active
- Precautionary statements
- P273-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Uses & manufacturing
UsesPlastics -> Typical concentration range in plastic materials -> 10.0 - 35.0%
U.S. Production2023: 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 UsesNot Known or Reasonably Ascertainable
Industry UsesPlasticizer
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
Suppliers49 total
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]
南京翔睿科技有限公司021-021-00000000 15715199582
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
杭州研富贸易有限公司15990061515
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
山东李比希生物医药科技有限公司17866677155 · [email protected]
常州市华阳科技有限公司+8615250961469 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
成都思天德生物科技有限公司028-83243028 19136088901 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
北京奥秘佳得医药科技有限公司+86-13522808617 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
郑州九亿时光新材料有限公司+86-15225627621 +86-13213167925 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
上海玻尔化学试剂有限公司19102157732 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
郑州汇聚化工有限公司0371-55900031 18137872243 · [email protected]
金锦乐(湖南)化学有限公司18001959627(微信同号) 18001959627 · [email protected]
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
湖北诺纳科技有限公司59209883 17386169806 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
南京克罗托鲁宁医药科技有限公司13382066392
上海吉至生化科技有限公司021-4009004166/18616739031 18616739031 · [email protected]
北京迈瑞达科技有限公司010-82387566 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
常州翔龙医药科技有限公司18661161657 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
上海迈瑞尔生化科技有限公司18621169109 · [email protected]
SHANGHAI KEAN TECHNOLOGY CO., LTD.+8613817748580 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
上海研邦医药科技有限公司15618536883 · [email protected]
广东翁江化学试剂有限公司0751-2815983 13927872582 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
上海齐通医药科技有限公司18918399319 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
南通路特金进出口有限公司13951333918 · [email protected]
江苏新素新材料有限公司0512-66387919 15251950002 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
淄博航宇生物科技发展有限公司+86-0533-2185556 +86-15965530500 · [email protected]
Nantong Root King lmport&Export Co.,Ltd+8615725632777 · [email protected]
山东碳氢生物化工有限公司15508610597 15508610597 · [email protected]
Additional notes
DefinitionChEBI: Dibutyl terephthalate is a phthalate ester.
Related reactions
3 records
Compound notes
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