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3,4-Diethoxybenzoic acid

3,4-Diethoxybenzoic acid structure

CAS No:
5409-31-4
Formula:
C11H14O4
Chemical Name:
3,4-Diethoxybenzoic acid
Synonyms:
Benzoic acid,3,4-diethoxy-;3,4-Diethoxybenzoic acid;NSC 10903;NSC 8515;3,4-Bis(ethyloxy)benzoic acid;943632-63-1
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

white to off-white amorphous powder

3,4-Diethoxybenzoic acid Basic Attributes

Molecular Weight：

210.227

Exact Mass：

210.23

EC Number：

226-478-2

NSC Number：

10903|8515

DSSTox ID：

DTXSID70202418

HScode：

29189900

Characteristics

PSA：

55.76000

XLogP3：

3.05

Appearance：

White solid.

Density：

1.1±0.1 g/cm3

Melting Point：

166-167 °C

Boiling Point：

330.2±22.0 °C at 760 mmHg

Flash Point：

125.4±15.8 °C

Refractive Index：

1.522

Storage Conditions：

Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S24/25

Marks：

Stability/Shelf Life：

Stable under normal temperatures and pressures.

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.

Computed Properties

Molecular Weight:210.23
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:210.08920892
Monoisotopic Mass:210.08920892
Topological Polar Surface Area:55.8
Heavy Atom Count:15
Complexity:205
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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3,4-Diethoxybenzoic acid

CAS No.: 5409-31-4

Grade: industrial Grade

Content: 98%

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