CAS 33130-03-9|2,3,4-Trimethoxycinnamic acid|3-(2,3,4-trimethoxyphenyl)prop-2-enoic acid|3-(2,3,4-trimethoxyphenyl)prop-2-enoic acid|(E)-3-(2,3,4-trimethoxyphenyl)acrylic acid|(2E)-3-(2,3,4-trimetho...

Molecular Formula

C₁₂H₁₄O₅

Molecular Mass

238.23656

Exact Mass

238.08412355

InChI

InChI=1S/C12H14O5/c1-15-9-6-4-8(5-7-10(13)14)11(16-2)12(9)17-3/h4-7H,1-3H3,(H,13,14)

InChIKey

ZYOPDNLIHHFGEC-UHFFFAOYSA-N

Canonic Smiles

COc1c(/C=C/C(=O)O)ccc(c1OC)OC

Isomeric Smiles

O=C(/C=C/c1c(c(c(cc1)OC)OC)OC)O

JChem

Acid pKa

3.7233653

H Acceptors

H Donor

LogD (pH = 5.5)

-0.11316003

LogD (pH = 7.4)

-1.632836

Log P

1.6630725

Molar Refractivity

62.4495

Polarizability

23.798058

Polar Surface Area

64.99

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

735841

IUPAC name

3-(2,3,4-trimethoxyphenyl)prop-2-enoic acid (2E)-3-(2,3,4-trimethoxyphenyl)prop-2-enoic acid

Synonyms

2,3,4-Trimethoxycinnamic acid(E)-3-(2,3,4-trimethoxyphenyl)acrylic acid3-(2,3,4-Trimethoxyphenyl)acrylic acidtrans-2,3,4-Trimethoxycinnamic acid2,3,4-三甲氧基肉桂酸

IUPAC Traditional name

3-(2,3,4-trimethoxyphenyl)prop-2-enoic acid (2E)-3-(2,3,4-trimethoxyphenyl)prop-2-enoic acid

MDL Number

Beilstein Number

CAS Number

PubChem SID

Product Information

Purity

95+%

99%

Safety Information

GHS Hazard statements

H315-H319-H335

Risk Statements

36/37/38

GHS Precautionary statements

P261-P305+P351+P338-P302+P352-P321-P405-P501A

GHS Pictograms

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

Safety Statements

26-37

European Hazard Symbols

Irritant (Xi)

TSCA Listed

否

Physical Property

Melting Point

172-176°C

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Academic Data

PubChem

735841

IUPAC name

3-(2,3,4-trimethoxyphenyl)prop-2-enoic acid (2E)-3-(2,3,4-trimethoxyphenyl)prop-2-enoic acid

Synonyms

2,3,4-Trimethoxycinnamic acid(E)-3-(2,3,4-trimethoxyphenyl)acrylic acid3-(2,3,4-Trimethoxyphenyl)acrylic acidtrans-2,3,4-Trimethoxycinnamic acid2,3,4-三甲氧基肉桂酸

IUPAC Traditional name

3-(2,3,4-trimethoxyphenyl)prop-2-enoic acid (2E)-3-(2,3,4-trimethoxyphenyl)prop-2-enoic acid

MDL Number

Beilstein Number

CAS Number

PubChem SID

Product Information

Purity

95+%

99%

Safety Information

GHS Hazard statements

H315-H319-H335

Risk Statements

36/37/38

GHS Precautionary statements

P261-P305+P351+P338-P302+P352-P321-P405-P501A

GHS Pictograms

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

Safety Statements

26-37

European Hazard Symbols

Irritant (Xi)

TSCA Listed

否

Physical Property

Melting Point

172-176°C

No Data Available

Click here to submit data

Molecule

ID:75222