CAS 3669-41-8|1-(2,4-dihydroxyphenyl)-2-phenylethan-1-one|1-(2,4-dihydroxyphenyl)-2-phenylethanone|1-(2,4-dihydroxyphenyl)-2-phenylethan-1-one|Benzyl 2,4-dihydroxyphenyl ketone|2,4-二羟基苯基苄酮|2'...

Molecular Formula

C₁₄H₁₂O₃

Molecular Mass

228.24328

Exact Mass

228.07864424

InChI

InChI=1S/C14H12O3/c15-11-6-7-12(14(17)9-11)13(16)8-10-4-2-1-3-5-10/h1-7,9,15,17H,8H2

InChIKey

VFQKAJVKZKHVPD-UHFFFAOYSA-N

Canonic Smiles

Oc1ccc(c(c1)O)C(=O)Cc1ccccc1

Isomeric Smiles

O=C(c1c(cc(cc1)O)O)Cc1ccccc1

JChem

Acid pKa

7.874379

H Acceptors

H Donor

LogD (pH = 5.5)

3.406285

LogD (pH = 7.4)

3.2834375

Log P

3.4081025

Molar Refractivity

65.1445

Polarizability

24.862762

Polar Surface Area

57.53

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

138005

Synonyms

1-(2,4-dihydroxyphenyl)-2-phenylethan-1-oneBenzyl 2,4-dihydroxyphenyl ketone2,4-二羟基苯基苄酮2',4'-二羟基-2-苯基苯乙酮2′,4′-Dihydroxy-2-phenylacetophenone1-(2,4-dihydroxyphenyl)-2-phenylethanone

IUPAC Traditional name

1-(2,4-dihydroxyphenyl)-2-phenylethanone

IUPAC name

1-(2,4-dihydroxyphenyl)-2-phenylethan-1-one

MDL Number

MFCD00043754

CAS Number

3669-41-8

PubChem SID

16207199024867457

Safety Information

German water hazard class

GHS Signal Word

Warning

Risk Statements

36/37/38

Safety Statements

26-36

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

dust mask type N95 (US), Eyeshields, Gloves

P261-P305+P351+P338

H315-H319-H335

Irritant (Xi)

Download link

Product Information

C6H5CH2COC6H3(OH)2

97%

95%

Rare Derivatives of Natural Compounds

Physical Property

112-116 °C(lit.)

115 - 116°C

3.022

No Data Available

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No Data Available

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Sigma Aldrich

438499

Packaging
1 g in glass bottle

No Data Available

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Academic Data

PubChem

138005

Synonyms

IUPAC Traditional name

1-(2,4-dihydroxyphenyl)-2-phenylethanone

IUPAC name

1-(2,4-dihydroxyphenyl)-2-phenylethan-1-one

MDL Number

CAS Number

PubChem SID

438499

Packaging
1 g in glass bottle

No Data Available

Click here to submit data

Safety Information

German water hazard class

GHS Signal Word

Warning

Risk Statements

36/37/38

Safety Statements

26-36

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

dust mask type N95 (US), Eyeshields, Gloves

P261-P305+P351+P338

H315-H319-H335

Irritant (Xi)

Download link

Product Information

C6H5CH2COC6H3(OH)2

97%

95%

Rare Derivatives of Natural Compounds

Physical Property

112-116 °C(lit.)

115 - 116°C

3.022

Molecule

ID:84874