파라옥시안식향산이소프로필

Isopropylparaben

HCID 20161CAS 4191-73-5
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CC(C)OC(=O)c1ccc(O)cc1
InChIKey
CMHMMKSPYOOVGI-UHFFFAOYSA-N
분자식
C10H12O3
평균 분자량
180.2 g/mol
단동위원소 질량
180.07864424

개요

Isopropylparaben is a 4-hydroxybenzoate ester.

이름 및 식별자

우선 이름
Isopropylparaben
IUPAC
propan-2-yl 4-hydroxybenzoate
현지명
파라옥시안식향산이소프로필
영어명
Isopropylparaben
분자식
C10H12O3
분자량
180.2

이름 및 동의어

Isopropyl 4-hydroxybenzoate4191-73-5IsopropylparabenIsopropyl p-hydroxybenzoatep-Hydroxybenzoic acid isopropyl esterBenzoic acid, 4-hydroxy-, 1-methylethyl ester1-Methylethyl-4-hydroxybenzoateA6EOX47QK0i-Pr 4-OH-benzoate4-Hydroxybenzoic acid, 1-methylethyl esterDTXSID3052858RefChem:565998
이름 더 보기
파라옥시안식향산이소프로필아이소프로필파라벤아이소프로필4-하이드록시벤조에이트(INCI:아이소프로필파라벤)소듐염Baquiloprim Impurity 1ISOPROPYLHYDROXYBENZOATEIsopropyl 4-hydroxybenzo4-(1-Isopropoxyvinyl)phenolIsopropyl 4-HydroxubenzoateIsopropylparaben (Standard)ISOPROPYLPARA-HYDROXYBENZOATE
DTXCID0031269224-069-3isopropyl parabenpropan-2-yl 4-hydroxybenzoatep-Oxybenzoesaureisopropylester4-Hydroxybenzoic Acid Isopropyl EsterUNII-A6EOX47QK0EINECS 224-069-3

데이터베이스 식별자

CAS
4191-73-5
PubChem CID
20161
DTXSID
DTXSID3052858
ChEMBL
CHEMBL2333962
ChEBI
CHEBI:179285
UNII
A6EOX47QK0
EC Number
224-069-3
Nikkaji
J1.260B

물성

구조 계산 물성

XLogP
2.8
극성 표면적
46.5 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
3
무거운 원자 수
13

실험 및 물리화학적 성질

Cosmetics · 2건

Cosmetic ingredients (Isopropylparaben) -> CIR (Cosmetic Ingredient Review)

Preservative

SpringerMaterials PropertiesOptical coefficient
Endocrine DisruptorsPotential endocrine disrupting compound

물리화학적 성질

녹는점
84 · 84-86°C
끓는 점
160 °C · 160 °C / 5mmHg
밀도
1.132 · 1.132±0.06 g/cm3(Predicted)
증기압
0.155 Pa · 0.155Pa at 25℃
저장 조건
2 · Sealed in dry,2-8°C
용해도
클로로포름, 에틸아세테이트에 용해됩니다.

화학적 성질

White Solid

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 5% (11 of 221) of reports.

Danger

H302 (18.1%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 221 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: Benzoic acid, 4-hydroxy-, 1-methylethyl ester

REACH registered substance: Isopropyl 4-hydroxybenzoate (EC: 224-069-3)

Isopropyl 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 CategoriesAcute Tox. 4 (18.1%)

독성 정보

Toxicity Summary · 2건

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 %...Isopropylparaben...

Safe for use in cosmetics, with qualifications

안전 데이터

rtecs
DH2250000
HS 번호
2918290090
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36
위험 등급
IRRITANT

화학 및 산업

용도 및 제조

UsesCIR ingredient: Isopropylparaben
Household ProductsInformation on 17 consumer products that contain Isopropylparaben in the following categories is provided:
Use ClassificationCosmetics -> Preservative

응용 분야

용도An antimicrobial

상·하류 제품 정보

공급사50 곳

常州帝通化工有限公司+86-0519-88298848 · [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]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]

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