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Benzyl 4-hydroxybenzoate

Benzyl 4-hydroxybenzoate structure

CAS No:
94-18-8
Formula:
C14H12O3
Chemical Name:
Benzyl 4-hydroxybenzoate
Synonyms:
Benzoic acid,4-hydroxy-,phenylmethyl ester;Benzoic acid,p-hydroxy-,benzyl ester;Benzylparaben;Benzyl Parasept;Benzyl Tegosept;p-Hydroxybenzoic acid benzyl ester;Nipabenzyl;Parosept;Solbrol Z;Benzyl 4-hydroxybenzoate;Benzyl p-hydroxybenzoate;4-(Benzyloxycarbonyl)phenol;POB-BZ;4-Hydroxybenzoic acid benzyl ester;NSC 8080;4-Hydroxybenzoic acid,phenylmethyl ester;Benzyl 4-hydroxylbenzoate
Categories:
Cosmetic Ingredient > Antimicrobials

Description

white to light yellow fine powder

Benzyl parahydroxybenzoate is a benzoate ester and a benzyl ester.|Benzylparaben is used in allergenic testing.|Benzylparaben is a Standardized Chemical Allergen. The physiologic effect of benzylparaben is by means of Increased Histamine Release, and Cell-mediated Immunity.

Benzyl 4-hydroxybenzoate Basic Attributes

Molecular Weight：

228.24

Exact Mass：

228.24

BRN：

2115995

EC Number：

202-311-9

UNII：

8Y41DYV4VG

NSC Number：

8080

DSSTox ID：

DTXSID9022526

HScode：

29181990

Characteristics

PSA：

46.5

XLogP3：

3.6

Appearance：

Powder

Density：

1.1799

Melting Point：

111 °C

Boiling Point：

170℃

Flash Point：

167℃

Refractive Index：

1.5805

Water Solubility：

ethanol: soluble 25mg/mL, clear, colorless

Storage Conditions：

Refrigerator

Safety Information

Hazard category：

IRRITANT

Transport codes：

3077

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36-37/39

RTECS Number：

DH2691000

Marks：

Stability/Shelf Life：

Stable at normal temperatures and pressures.

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (99.7%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 341 companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

Drug Indication：

Benzylparaben is used in allergenic testing.

MeSH Entry Terms：

benzyl paraben

Benzyl 4-hydroxybenzoate Use and Manufacturing

Uses

An antimicrobial

Manufacturing Info：

Benzoic acid, 4-hydroxy-, phenylmethyl ester: ACTIVE

Use Classification：

Cosmetics -> Antimicrobial

Computed Properties

Molecular Weight:228.24
XLogP3:3.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:228.078644241
Monoisotopic Mass:228.078644241
Topological Polar Surface Area:46.5
Heavy Atom Count:17
Complexity:238
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes