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4-Butoxybenzoic acid

4-Butoxybenzoic acid structure

CAS No:
1498-96-0
Formula:
C11H14O3
Chemical Name:
4-Butoxybenzoic acid
Synonyms:
Benzoic acid,4-butoxy-;Benzoic acid,p-butoxy-;4-Butoxybenzoic acid;p-Butoxybenzoic acid;p-(Butyloxy)benzoic acid;p-(n-Butyloxy)benzoic acid;p-(n-Butoxy)benzoic acid;4-(Butyloxy)benzoic acid;4-(n-Butoxy)benzoic acid;NSC 60247
Categories:
Pharmaceutical Intermediates > Ophthalmic Agents

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4-Butoxybenzoic acid Basic Attributes

Molecular Weight：

194.23

Exact Mass：

194.23

EC Number：

216-104-6

UNII：

ZS36TKQ5W4

NSC Number：

60247

DSSTox ID：

DTXSID50164388

HScode：

2918990090

Characteristics

PSA：

46.53000

XLogP3：

3.55

Appearance：

BEIGE TO LIGHT BROWN CRYSTALLINE POWDER

Density：

1.1±0.1 g/cm3

Melting Point：

147-150 °C

Boiling Point：

290.67°C (rough estimate)

Flash Point：

121.9±13.9 °C

Refractive Index：

1.525

Vapor Pressure：

0.000145mmHg at 25°C

Safety Information

Hazard category：

IRRITANT

Transport codes：

NONH for all modes of transport

wgk germany：

safety instructions：

24/25

Marks：

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]|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 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

4-Butoxybenzoic acid Use and Manufacturing

Intermediates of Liquid Crystals

Computed Properties

Molecular Weight:194.23
XLogP3:3.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:194.094294304
Monoisotopic Mass:194.094294304
Topological Polar Surface Area:46.5
Heavy Atom Count:14
Complexity:171
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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4-N-BUTOXYBENZOIC ACID

Unit Price: $100 /KG EXW

CAS No.: 1498-96-0

Grade: Pharmaceutical Grade

Content: 99%

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