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Heptyl p-hydroxybenzoate

Heptyl p-hydroxybenzoate structure

CAS No:
1085-12-7
Formula:
C14H20O3
Chemical Name:
Heptyl p-hydroxybenzoate
Synonyms:
Benzoic acid,4-hydroxy-,heptyl ester;Benzoic acid,p-hydroxy-,heptyl ester;Heptyl alcohol,p-hydroxybenzoate;Heptyl p-hydroxybenzoate;n-Heptyl p-hydroxybenzoate;Staypro WS 7;Heptyl paraben;Heptyl 4-hydroxybenzoate;Nipaheptyl;n-Heptyl 4-hydroxybenzoate;NSC 309818
Categories:
Chemical Reagents > Organic Reagents

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Description

Solid

Heptyl p-hydroxybenzoate is a benzoate ester.

Heptyl p-hydroxybenzoate Basic Attributes

Molecular Weight：

236.31

Exact Mass：

236.31

EC Number：

214-115-0

UNII：

K2CIJ448IX

NSC Number：

309818

DSSTox ID：

DTXSID4022523

HScode：

2918290000

Characteristics

PSA：

46.5

XLogP3：

4.83

Appearance：

Solid

Density：

1.1±0.1 g/cm3

Melting Point：

49.8 °C

Boiling Point：

338.77°C (rough estimate)

Flash Point：

143.1±13.2 °C

Refractive Index：

1.514

Water Solubility：

soluble in alcohol, phenoxyethanol, propylene glycol. Insoluble in water.

Vapor Pressure：

1.74E-05mmHg at 25°C

Toxicity：

Subcutaneous-mouse LD50: 4000 mg/kg

Flammability characteristics：

Flammable, spicy and irritating smoke emitted from the fire

Safety Information

hazard class code：

36/37/38

safety instructions：

37/39-26-37

RTECS Number：

DH2202000

Marks：

Storage features：

Warehouse low temperature, ventilated, dry

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 (100%): 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 5 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Toxicity

Toxicity class：

moderately toxic

Drug Information

MeSH Entry Terms：

heptylparaben

Heptyl p-hydroxybenzoate Use and Manufacturing

Methods of Manufacturing

From p-hydroxybenzoic acid and heptanol in the presence of sulfuric acid prepared.

Uses

Antiseptic; antimicrobial agent.

Manufacturing Info：

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

Computed Properties

Molecular Weight:236.31
XLogP3:4.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:8
Exact Mass:236.14124450
Monoisotopic Mass:236.14124450
Topological Polar Surface Area:46.5
Heavy Atom Count:17
Complexity:208
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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