기본 정보
- CAS
131-70-4- 표준 SMILES
CCCCOC(=O)c1ccccc1C(=O)O- InChIKey
YZBOVSFWWNVKRJ-UHFFFAOYSA-N- 분자식
- C12H14O4
- 평균 분자량
- 222.24 g/mol
- 단동위원소 질량
- 222.08920892
개요
Monobutylphthalate is a phthalic acid monoester. It is functionally related to a butan-1-ol.
이름 및 식별자
- 우선 이름
- Monobutyl phthalate
- IUPAC
- 2-butoxycarbonylbenzoic acid
- 현지명
- 2-부톡시카르보닐벤조산
- 영어명
- 2-butoxycarbonylbenzoic acid
- 분자식
- C12H14O4
- 분자량
- 0
이름 및 동의어
MONOBUTYL PHTHALATE131-70-42-(Butoxycarbonyl)benzoic acidButyl hydrogen phthalateMono-n-butyl phthalateMonobutylphthalatePhthalic acid, monobutyl ester1,2-Benzenedicarboxylic acid, monobutyl esterDTXSID40400021,2-Benzenedicarboxylic acid, 1-butyl esterZI46LWZ45GNSC-8479
이름 더 보기
2-부톡시카르보닐벤조산
DTXCID2020002RefChem:819272205-036-22-butoxycarbonylbenzoic acid34-74-2MnBPPhthalic acid mono-n-butyl esterPhthalic Acid Monobutyl Ester
데이터베이스 식별자
- CAS
131-70-4、34-74-2- PubChem CID
- 8575
- DTXSID
DTXSID4040002- ChEMBL
CHEMBL2447930- ChEBI
CHEBI:88522- UNII
- ZI46LWZ45G
- EC Number
- 205-036-2
- Nikkaji
- J60.508E
물성
구조 계산 물성
- XLogP
- 3.1
- 극성 표면적
- 63.6 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 249
실험 및 물리화학적 성질
Chemical ClassesPhthalate
SpringerMaterials PropertiesViscosity
Endocrine DisruptorsPotential endocrine disrupting compound
Melting Point73.5 °C
Physical DescriptionSolid
Collision Cross Section
151.7 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID4040002]
163.94 Ų [M+Na]+
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H360 (97.6%): May damage fertility or the unborn child [Danger Reproductive toxicity]
P203, P280, P318, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory.
Danger
H360Df: May damage the unborn child; Suspected of damaging fertility [Danger Reproductive toxicity]
유해성 정보
Regulatory Information
Chemical: 1,2-Benzenedicarboxylic acid, monobutyl ester
Hazard Traits - Developmental Toxicity; Endocrine Toxicity; Immunotoxicity; Reproductive Toxicity; Respiratory Toxicity
Other Safety InformationIMAP assessments - Monoesters of C4-6 side-chain transitional phthalates: Human health tier II assessment
Hazard Classes and Categories
Repr. 1B (97.6%)
Reproductive toxicity - category 1B
독성 정보
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
화학 및 산업
약리 정보
Cellular LocationsMembrane
용도 및 제조
UsesThis is an endogenously produced metabolite found in the human body. It is used in metabolic reactions, catabolic reactions or waste generation.
General Manufacturing Information1,2-Benzenedicarboxylic acid, 1-butyl ester: ACTIVE
공급사100 곳
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