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Hexyl 4-hydroxybenzoate

Hexyl 4-hydroxybenzoate structure

CAS No:
1083-27-8
Formula:
C13H18O3
Chemical Name:
Hexyl 4-hydroxybenzoate
Synonyms:
Benzoic acid,4-hydroxy-,hexyl ester;Benzoic acid,p-hydroxy-,hexyl ester;Hexyl 4-hydroxybenzoate;Hexyl p-hydroxybenzoate;n-Hexyl 4-hydroxybenzoate;Hexylparaben;UA 12690;4-Hydroxybenzoic acid hexyl ester
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Hexyl 4-hydroxybenzoate Basic Attributes

Molecular Weight：

222.280

Exact Mass：

222.28

UNII：

14Y8G9635E

DSSTox ID：

DTXSID1044514

HScode：

2918290000

Characteristics

PSA：

46.53000

XLogP3：

4.52

Density：

1.1±0.1 g/cm3

Melting Point：

48.6 °C

Boiling Point：

339.0±15.0 °C at 760 mmHg

Flash Point：

138.5±13.2 °C

Refractive Index：

1.518

Water Solubility：

1.12e-04 M

Vapor Pressure：

4.83E-05mmHg at 25°C

Safety Information

hazard class code：

R36/37/38

safety instructions：

S26-S36/37/39

RTECS Number：

DH2204000

Precautionary statement(s)：

P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:222.28
XLogP3:4.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:7
Exact Mass:222.125594432
Monoisotopic Mass:222.125594432
Topological Polar Surface Area:46.5
Heavy Atom Count:16
Complexity:195
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 1083-27-8

Content: 99.00%

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HEXYL 4-HYDROXYBENZOATE

CAS No.: 1083-27-8

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Content: 98%

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