Cas no 98-86-2 (Acetophenone)

Acetophenone (C?H?O) is an aromatic ketone with the formula C?H?COCH?. It is a colorless liquid with a sweet, pungent odor, soluble in organic solvents but sparingly soluble in water. Acetophenone is widely used as an intermediate in the synthesis of pharmaceuticals, fragrances, and resins due to its reactive carbonyl group and aromatic ring. Its key advantages include high purity, stability under standard conditions, and versatility in organic reactions, such as Friedel-Crafts acylation and reduction to secondary alcohols. It also serves as a photoinitiator in UV-curable coatings and inks. Proper handling is required due to its flammability and potential irritant properties.

Acetophenone structure

Product Name:Acetophenone

CAS No:98-86-2

MF:C₈H₈O

MW:120.148522377014

MDL:MFCD00008724

CID:34985

PubChem ID:7410

Update Time:2025-08-06

Acetophenone Chemical and Physical Properties

Names and Identifiers

- Acetophenone
- ACETOPHENONE extrapure AR
- 1 -Phenyl-1 -ethanone
- 1-Phenylethan-1-one
- 1-phenylethanone
- Acetophenone solution
- ACETOPHENONE,CP grade bottle of (1)-litre
- CLP Base Neutral and PAH Mix
- Composite Mix #3A
- Composite Mix #3A - Revised
- Method 625 Modification Standard
- ACETOPHENON
- acetylbenzene
- Acetylbenzene
- BenzoylMethane
- Ethanone,1-phenyl
- Hypnone
- Method 8270B - Base
- Methyl phenyl ketone
- MS Mix 2
- Neutrals Mix
- Phenyl methyl ketone
- Phenylethanone
- Semi-Volatile by Capillary Column GC
- alpha-Acetophenone
- Ethanone, 1-phenyl-
- Benzoyl methide
- Acetylbenzol
- 1-Phenyl-1-ethanone
- Benzoylmethide
- Benzene, acetyl-
- Acetofenon
- Ketone, methyl phenyl
- 1-phenyl-ethanone
- Acetofenon [Czech]
- RCRA waste number U004
- Hypnon
- phenylmethylketone
- methylphenylketone
- Dymex
- FEMA Number 2009
- RCRA waste no. U004
- FEMA No. 2009
- Ethanone-2,2,2-d3, 1-(phenyl-d5)-
- USEPA/OPP Pesticide Code: 129033
- NCGC00254370-01
- SCHEMBL13341485
- DTXCID501828
- InChI=1/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H
- STR00017
- NCGC00248000-01
- DTXSID6021828
- 1-Phenylethanone (acetophenone)
- NS00010659
- 98-86-2
- NCGC00248000-02
- Acetophenone, ReagentPlus(R), 99%
- nchem.180-comp5
- Benzoyl methide hypnone
- Acetophenone-methyl-13C
- Acetophenone-alpha-13C
- NCGC00259971-01
- ACETOPHENONE (II)
- ACETOPHENONE [INCI]
- USAF EK-496
- UNII-RK493WHV10
- Acetyl-Benzene
- Acetophenone, puriss. p.a., >=99.0% (GC)
- J-519533
- FEMA 2009
- ACETOPHENONE [FCC]
- FT-0661057
- Ketone, methyl phenyl-
- ACETOPHENONE [MI]
- WLN: 1VR
- s5528
- D71016
- CHEBI:27632
- c0117
- aceto-phenone
- aceto phenone
- A854783
- Acetophenone-1,2-13C2
- A0061
- Acetophenone, >=98.0% (GC)
- Q375112
- SCHEMBL737
- HSDB 969
- C07113
- Acetophenone, TraceCERT(R), certified reference material
- ACETOPHENONE [HSDB]
- NSC 7635
- Methyl phenyl-Ketone
- EC 202-708-7
- CAS-98-86-2
- AI3-00575
- Acetophenone, natural, 98%, FG
- HY-Y0989
- CS-0015982
- CHEMBL274467
- NSC7635
- ACETOPHENONE [II]
- Acetophenone, analytical standard
- Acetofenona
- methyl-phenyl ketone
- EN300-18050
- SY073923
- AC0
- (2,2,2,-2H3)ACETOPHENONE
- AKOS000119011
- ACETOPHENONE [FHFI]
- DB04619
- MFCD00008724
- FT-0636694
- CCG-266074
- FT-0637564
- Acetophenone, >=98%, FG
- Tox21_300343
- 1-Phenylethanone, 9CI
- SCHEMBL8170205
- bmse000286
- Tox21_202422
- RK493WHV10
- EINECS 202-708-7
- CCRIS 1341
- Z57127548
- FT-0628908
- acetyl-benzen
- FT-0641367
- NSC-7635
- MFCD00064447
- BDBM50236986
- Acetophenone,99%
- DA-70496
- DB-044220
- HY-Y0989R
- AFA77094
- YWB02259
- 202-708-7
- Acetophenone (Standard)
- MDL： MFCD00008724
- Inchi： 1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3
- InChI Key： KWOLFJPFCHCOCG-UHFFFAOYSA-N
- SMILES： O=C(C)C1C=CC=CC=1

Computed Properties

Exact Mass: 120.05800
Monoisotopic Mass: 120.057514874 g/mol
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 1
Heavy Atom Count: 9
Rotatable Bond Count: 1
Complexity: 101
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count : 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 1.6
Topological Polar Surface Area: 17.1
Surface Charge: 0
Tautomer Count: 2
Molecular Weight: 120.15

Experimental Properties

Color/Form: It is a colorless or light yellow liquid at normal temperature, and a flake crystal at low temperature, with a flavor similar to hawthorn.
Density: 1.03?g/mL?at 25?°C(lit.)
Melting Point: 19-20?°C (lit.)
Boiling Point: 202?°C(lit.)
Flash Point: Fahrenheit: 168.8 ° f < br / > Celsius: 76 ° C < br / >
Refractive Index: n20/D 1.534(lit.)
Solubility: 6.1g/l
Water Partition Coefficient: 5.5 g/L (20 oC)
Stability/Shelf Life: Stable. Incompatible with strong oxidizing agents, strong bases, strong reducing agents. Combustible.
PSA: 17.07000
LogP: 1.88920
Odor: Sweet pungent odor
Refractive Index: Index of refraction: 1.5372 at 20 °C/D
FEMA: 2009 | ACETOPHENONE
Merck: 73
Vapor Pressure: 0.45 mmHg ( 25 °C)
1 mmHg ( 15 °C)
Color/Form: 5000?μg/mL in methanol
Solubility: It is slightly soluble in water and can be miscible with alcohol, ether and other organic solvents. Similar to cyclohexanone, it can dissolve nitrocellulose, cellulose acetate, vinyl resin, coumarin resin, alkyd resin, glycerin alkyd resin, etc.
Sensitiveness: Sensitive to humidity

Acetophenone Security Information

Symbol:
Prompt：warning
Signal Word：Warning
Hazard Statement： H302,H319
Warning Statement： P305+P351+P338
Hazardous Material transportation number：UN 3334
WGK Germany：1
Hazard Category Code： 22-36
Safety Instruction： S26
FLUKA BRAND F CODES：8
RTECS：AM5250000
Hazardous Material Identification：
Explosive Limit：1.4-5.2%(V)
Toxicity：LD50 orally in rats: 0.90 g/kg (Smyth, Carpenter)
TSCA：Yes
Storage Condition：2-8°C
Packing Group：I; II; III
Risk Phrases：R22; R36

Acetophenone Customs Data

HS CODE：2914391000
Customs Data：

China Customs Code:
2914391000

Declaration elements:

Product Name, component content, use to, Acetone declared packaging

Summary:

HS: 2914391000 acetophenone Tax rebate rate:9.0% Supervision conditions:none VAT:17.0% MFN tariff:4.0% General tariff:11.0%

Acetophenone Pricemore >>

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SU ZHOU XIN JIA YUAN HUA XUE Technology Co., Ltd.	LJT+A0061-25G	Acetophenone	98-86-2	98.5%	25g	￥76.95	2023-09-15
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