Isopropylparaben

HCID 20161CAS 4191-73-5
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)OC(=O)c1ccc(O)cc1
InChIKey
CMHMMKSPYOOVGI-UHFFFAOYSA-N
Molecular formula
C10H12O3
Average molar mass
180.2 g/mol
Monoisotopic mass
180.07864424

Overview

Isopropylparaben is a 4-hydroxybenzoate ester.

Names & identifiers

Preferred name
Isopropylparaben
IUPAC
propan-2-yl 4-hydroxybenzoate
English name
Isopropylparaben
Molecular formula
C10H12O3
Molecular weight
180.2

Names & synonyms

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
Show more names
Baquiloprim 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

Database identifiers

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

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
46.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
13

Experimental & physicochemical properties

Cosmetics · 2 items

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

Preservative

SpringerMaterials PropertiesOptical coefficient
Endocrine DisruptorsPotential endocrine disrupting compound

Physicochemical properties

Melting point
84 · 84-86°C
Boiling point
160 °C · 160 °C / 5mmHg
Density
1.132 · 1.132±0.06 g/cm3(Predicted)
vapor pressure
0.155 Pa · 0.155Pa at 25℃
storage temp.
2 · Sealed in dry,2-8°C
solubility
Soluble in Chloroform, Ethyl Acetate.

Safety & regulation

GHS classification

GHS Classification · 5 items

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.

Hazard information

Regulatory Information · 3 items

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%)

Toxicology

Toxicity Summary · 2 items

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

Safety data

rtecs
DH2250000
hs_code
2918290090
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi

Chemistry & industry

Uses & manufacturing

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

Applications

UsesIt is used as a preservative in cosmetics.

UsesAn antimicrobial

Upstream & downstream products

Downstream products

Suppliers50 total

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]

Additional notes

DefinitionChEBI: Isopropylparaben is a 4-hydroxybenzoate ester.

Related reactions

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