기본 정보
- CAS
4247-02-3- 표준 SMILES
CC(C)COC(=O)c1ccc(O)cc1- InChIKey
XPJVKCRENWUEJH-UHFFFAOYSA-N- 분자식
- C11H14O3
- 평균 분자량
- 194.23 g/mol
- 단동위원소 질량
- 194.09429431
개요
Isobutylparaben is a 4-hydroxybenzoate ester.
이름 및 식별자
- 우선 이름
- Isobutylparaben
- IUPAC
- 2-methylpropyl 4-hydroxybenzoate
- 현지명
- 파라옥시안식향산이소부틸
- 영어명
- Isobutylparaben
- 분자식
- C11H14O3
- 분자량
- 194.23
이름 및 동의어
Isobutyl 4-hydroxybenzoateIsobutylparaben4247-02-3isobutyl parabenIsobutyl p-hydroxybenzoateIsobutyl-4-hydroxybenzoateIsobutyl parahydroxybenzoateDTXSID4020749Benzoic acid, 4-hydroxy-, 2-methylpropyl esterisobutyl-p-hydroxybenzoateBENZOIC ACID, p-HYDROXY-, ISOBUTYL ESTER0QQJ25X58G
이름 더 보기
아이소부틸파라벤아이소부틸-하이드록시벤조에이트(INCI:아이소부틸파라벤)소듐염및아이소부틸파라벤의염류4-HydroxybenzButylparaben Impurity EButylparaben Impurity 1sobutyl 4-hydroxybenzoateIsobutyl 4-hydroxubenzoateIsobutylparaben (Standard)lsolbutyl p-hydroxybenzoate
DTXCID20749i-BHBRefChem:923642224-208-82-Methylpropyl 4-hydroxybenzoate4-Hydroxybenzoic Acid Isobutyl EsterMFCD00020167p-Hydroxybenzoic acid isobutyl ester
데이터베이스 식별자
- CAS
4247-02-3- PubChem CID
- 20240
- DTXSID
물성
구조 계산 물성
- XLogP
- 3.4
- 극성 표면적
- 46.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 181
실험 및 물리화학적 성질
Cosmetics
Cosmetic ingredients (Isobutylparaben) -> CIR (Cosmetic Ingredient Review)
Preservative
PesticidesBiocide
Endocrine DisruptorsPotential endocrine disrupting compound
물리화학적 성질
- 녹는점
- 76 °C · 76°C
- 끓는 점
- 302.3 · 302.3±15.0 °C(Predicted)
- 밀도
- 1.105 · 1.105±0.06 g/cm3(Predicted)
- 증기압
- 0.001 Pa · 0.001Pa at 20℃
- 저장 조건
- 2 · 2-8°C
- 용해도
- 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
- 산도 계수 (pKa)
- 8.17 · 8.17±0.15(Predicted)
- 물리적 상태
- Solid
- 색상
- 하얀색
- 수용성
- 물에 불용성.
- BRN
- 2642305 · 2642305
- 화장품 원료 기능
- 항균 방부제항균
- InChI
- InChI=1S/C11H14O3/c1-8(2)7-14-11(13)9-3-5-10(12)6-4-9/h3-6,8,12H,7H2,1-2H3
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 67.8% (434 of 640) of all reports.
Danger
H315 (25.3%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P354+P338, P317, P321, P332+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 640 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Benzoic acid, 4-hydroxy-, 2-methylpropyl ester
Hazard Traits - Endocrine Toxicity
Status: Cease Manufacture Update: 05-03-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/17752
Substance: Isobutyl 4-hydroxybenzoate
Isobutyl-4-hydroxybenzoate: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationIMAP assessments - Parabens: Human health tier II assessment
Hazard Classes and CategoriesSkin Irrit. 2 (25.3%)
독성 정보
Toxicity Summary
The CIR Expert Panel concluded that the following 20 parabens are safe in cosmetics in the present practices of use and concentration described in the safety assessment when the sum of the combined concentration of parabens in any given formulation does not exceed 0.8 %...Isobutylparaben
Safe for use in cosmetics, with qualifications
안전 데이터
화학 및 산업
용도 및 제조
UsesCIR ingredient: Isobutylparaben
Household ProductsInformation on 38 consumer products that contain Isobutylparaben in the following categories is provided:
Use ClassificationCosmetics -> Preservative
응용 분야
용도An antimicrobial
상·하류 제품 정보
상류 원료
공급사100 곳
国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
河北创海生物科技有限公司
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…