기본 정보
- 표준 SMILES
CCCCOC(=O)c1ccc(C(=O)OCCCC)cc1- InChIKey
LQLQDKBJAIILIQ-UHFFFAOYSA-N- 분자식
- C16H22O4
- 평균 분자량
- 278.34 g/mol
- 단동위원소 질량
- 278.15180918
이름 및 식별자
- 우선 이름
- Dibutyl terephthalate
- IUPAC
- dibutyl benzene-1,4-dicarboxylate
- 현지명
- 디부틸테레프탈레이트
- 영어명
- dibutyl terephthalate
- 분자식
- C16H22O4
- 분자량
- 278.34
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
1962-75-0- PubChem CID
- 16066
- DTXSID
DTXSID3022168- ChEBI
CHEBI:180625- UNII
- 7O6SH6VN97
- EC Number
- 217-803-9
- Nikkaji
- J61.324J
물성
구조 계산 물성
- XLogP
- 5.5
- 극성 표면적
- 52.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 263
실험 및 물리화학적 성질
물리화학적 성질
- 녹는점
- 16 ℃ · 16℃
- 끓는 점
- 381.16 °C · 381.16°C (rough estimate)
- 밀도
- 1.053 · 1.053
- 굴절률
- 1.463 · 1.463 (45 ºC)
- 저장 조건
- Refrigerator
- 용해도
- 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 기름
- 색상
- 무색
- 수용성
- 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
- Dibutyl terephthalate (1962-75-0)
안전 및 규제
GHS 분류
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.
유해성 정보
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
규제 정보
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
안전 데이터
- tsca
- TSCA listed
- 기존화학 물질
- 2015-3-6183
화학 및 산업
용도 및 제조
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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