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Isobutylparaben

Isobutylparaben structure

CAS No:
4247-02-3
Formula:
C11H14O3
Chemical Name:
Isobutylparaben
Synonyms:
Benzoic acid,4-hydroxy-,2-methylpropyl ester;Benzoic acid,p-hydroxy-,isobutyl ester;Isobutyl p-hydroxybenzoate;Isobutyl 4-hydroxybenzoate;2-Methylpropyl p-hydroxybenzoate;Isobutylparaben;iso-Butyl p-hydroxybenzoate;p-Hydroxybenzoic acid isobutyl ester;2-Methylpropyl 4-hydroxybenzoate
Categories:
Cosmetic Ingredient > Antimicrobials

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Description

White Solid

Isobutylparaben is a 4-hydroxybenzoate ester.

Isobutylparaben Basic Attributes

Molecular Weight：

194.22700

Exact Mass：

194.23

EC Number：

224-208-8

UNII：

0QQJ25X58G

DSSTox ID：

DTXSID4020749

HScode：

2918290000

Characteristics

PSA：

46.53000

XLogP3：

3.4

Appearance：

White cream

Density：

1.105 g/cm3

Melting Point：

76ºC

Boiling Point：

302.3ºC at 760 mmHg

Flash Point：

125.4ºC

Refractive Index：

1.524

Water Solubility：

Insoluble in water.

Storage Conditions：

0-6ºC

Safety Information

Transport codes：

UN 3077 9/PG 3

wgk germany：

hazard class code：

R51/53

safety instructions：

S22-S24/25

RTECS Number：

DH2247000

Marks：

Precautionary statement(s)：

P305 + P351 + P338

Hazard Statements：

H315-H319-H411

GHS Classification：

|Danger|H315 (36.62%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P310, P321, P332+P313, P337+P313, and P362|Aggregated GHS information provided by 528 companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

i-BHB

Isobutylparaben Use and Manufacturing

Uses

An antimicrobial agent used in cosmetic products.

Use Classification：

Cosmetics -> Preservative

Computed Properties

Molecular Weight:194.23
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:194.094294304
Monoisotopic Mass:194.094294304
Topological Polar Surface Area:46.5
Heavy Atom Count:14
Complexity:181
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Isobutanol

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