4'-Methoxyacetophenone

Catalog Number

ACM100061

CAS

100-06-1

Structure

Description

Solid;colourless to pale yellow fused solid with a floral, powdery, vanillic, balsamic odour

Synonyms

Epenone

IUPAC Name

1-(4-Methoxyphenyl)ethanone

Molecular Weight

150.17

Molecular Formula

C9H10O2

Canonical SMILES

CC(=O)C1=CC=C(C=C1)OC

InChI

InChI=1S/C9H10O2/c1-7(10)8-3-5-9(11-2)6-4-8/h3-6H,1-2H3

InChI Key

NTPLXRHDUXRPNE-UHFFFAOYSA-N

Boiling Point

152-154 °C/26 mmHg(lit.)

Melting Point

36-38 °C(lit.)

Flash Point

>230 °F

Purity

99%

Density

1.08 g/cm³

Solubility

Insoluble in water

Appearance

Solid

Storage

Keep in dark place, sealed in dry, room temperature

Complexity

135

Covalently-Bonded Unit Count

1

EC Number

202-815-9;922-271-2

Exact Mass

150.068079557

Hazard Statements

H302 : Harmful if swallowed.H315 : Causes skin irritation.

Heavy Atom Count

11

Linear Formula

CH3OC6H4COCH3

LogP

1.74 (LogP);1.74;log Kow = 1.74;1.74

MDL Number

MFCD00008745

Monoisotopic Mass

150.068079557

Precautionary Statements

P501 : Dispose of contents/ container to an approved waste disposal plant.P270 : Do not eat, drink or smoke when using this product.P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.P301 + P312 + P330 : IF SWALLOWED: Call a POISON CENTER/doctor if you feel unwell. Rinse mouth.

REAXYS Number

742313

Refractive Index

1.5470

Stability

Stable under recommended storage conditions.

Topological Polar Surface Area

26.3 Ų

• Catalog Number: ACM100061
• CAS: 100-06-1
• Description: Solid;colourless to pale yellow fused solid with a floral, powdery, vanillic, balsamic odour
• Synonyms: Epenone
• IUPAC Name: 1-(4-Methoxyphenyl)ethanone
• Molecular Weight: 150.17
• Molecular Formula: C9H10O2
• Canonical SMILES: CC(=O)C1=CC=C(C=C1)OC
• InChI: InChI=1S/C9H10O2/c1-7(10)8-3-5-9(11-2)6-4-8/h3-6H,1-2H3
• InChI Key: NTPLXRHDUXRPNE-UHFFFAOYSA-N
• Boiling Point: 152-154 °C/26 mmHg(lit.)
• Melting Point: 36-38 °C(lit.)
• Flash Point: >230 °F
• Purity: 99%
• Density: 1.08 g/cm³
• Solubility: Insoluble in water
• Appearance: Solid
• Storage: Keep in dark place, sealed in dry, room temperature
• Complexity: 135
• Covalently-Bonded Unit Count: 1
• EC Number: 202-815-9;922-271-2
• Exact Mass: 150.068079557
• Hazard Statements: H302 : Harmful if swallowed.H315 : Causes skin irritation.
• Heavy Atom Count: 11
• Linear Formula: CH3OC6H4COCH3
• LogP: 1.74 (LogP);1.74;log Kow = 1.74;1.74
• MDL Number: MFCD00008745
• Monoisotopic Mass: 150.068079557
• Precautionary Statements: P501 : Dispose of contents/ container to an approved waste disposal plant.P270 : Do not eat, drink or smoke when using this product.P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.P301 + P312 + P330 : IF SWALLOWED: Call a POISON CENTER/doctor if you feel unwell. Rinse mouth.
• REAXYS Number: 742313
• Refractive Index: 1.5470
• Stability: Stable under recommended storage conditions.
• Topological Polar Surface Area: 26.3 Ų