3'-Hydroxyacetophenone

Iupac Name：1-(3-hydroxyphenyl)ethanone

CAS No.：121-71-1

EINECS(EC#)： 204-494-0

Molecular Weight：136.14792

Molecular Formula：C8H8O2 (isomer)

1. Names and Identifiers

1.1 Synonyms: 1-(3-hydroxyphenyl) ethanone 1-(3-Hydroxyphenyl)ethan-1-one 1-(3-hydroxyphenyl)ethanone 1-(3-Hydroxy-phenyl)-ethanone 1-(3-Hydroxyphenyl)ethanone (3-Hydroxyacetophenone) 121-71-1 1-acetyl-3-hydroxybenzene 2 -Hydroxyacetophenone 3 inverted exclamation mark -Hydroxyacetophenone 3\'-Hydroxyacetophenone 3`-Hydroxyacetophenone 3-Acetophenol 3-ACETYLPHENOL 3-ethanoylphenol 3-Hydroxy acetophenone 3'-Hydroxyacetophenone 3'-hydroxy-acetophenone 3-Hydroxyacetophenone 3-HYDROXY-ACETOPHENONE 3'-Hydroxyacetophenone, >=99% 3'-Hydroxyacetophenone, 97% 3'-hydroxyacetophenone, 99+% 3-Hydroxyphenyl Methyl Ketone 3-hydroxyphenylethanone 53C A0104 AC-3238 Acetophenone, 3'-hydroxy- Acetophenone, 3-hydroxy- Acetophenone, 3'-hydroxy- (8CI) Acetophenone, 3-hydroxy- (8CI) ACMC-209aew ACN-S002764 AE-562/41047023 AI3-14650 AK-46681 AKOS000120755 AM20050139 ANW-17766 AS01139 BBL010535 BCP24455 BP-13222 BR-46681 CHEMBL404719 CS-0015375 CTK0H4924 DB-030053 DTXSID5059533 EINECS 204-494-0 Ethanone, 1- (3-hydroxyphenyl)- Ethanone, 1-(3-hydroxyphenyl)- Etilefrine Impurity E F0001-0349 FT-0615827 I614 KS-00000C1A KSC174S2J M-5928 m-Acetylphenol MCULE-8431429231 MFCD00002298 m-Hydroxyacetophenone NS00023974 NSC 2440 NSC2440 NSC-2440 Paracetamol Impurity I PS-3431 PubChem23010 PubChem3284 Q15410155 SBB040280 SC-00606 SCHEMBL42942 ST50213457 STL146197 STR01113 SY004849 UNII-UV3GO1D90J UV3GO1D90J W-108450 ZINC157435

1.2 Inchi: InChI=1/C8H8O2/c1-6(9)7-3-2-4-8(10)5-7/h2-5,10H,1H3

1.3 InChkey: LUJMEECXHPYQOF-UHFFFAOYSA-N

1.4 Canonical Smiles: CC(=O)C1=CC(=CC=C1)O

1.5 Isomers Smiles: CC(=O)C1=CC(=CC=C1)O

2. 3D Conformer

3. Properties

3.1 Appearance: white crystal powder

3.2 Density: 1.1

3.3 Melting Point: 94-97℃

3.4 Boiling Point: 296℃

3.5 Refractive Index: 1,534

3.6 Flash Point: 296 oC

3.7 Solubility: Very soluble

3.8 Stability: Stable at room temperature in closed containers under normal storage and handling conditions.

3.8 Stability

3.9 HS Code: 2914399090

3.10 Storage temp: Store in a cool, dry place. Keep container closed when not in use.

4. Safety and Handling

4.1 Hazard Codes: Xi

4.2 Risk Statements: R36/37/38

4.3 Safety Statements: S26;S37/39

4.4 Safety: Safety Information of 3-Hydroxy acetophenone (CAS No.121-71-1):
Hazard Codes:?Xn,Xi
Risk Statements: 22-36/37/38?
R22:Harmful if swallowed.?
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 22-24/25-37/39-26-36?
S22:Do not breathe dust.?
S24/25:Avoid contact with skin and eyes.?
S37/39:Wear suitable gloves and eye/face protection.?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?
S36:Wear suitable protective clothing.
WGK Germany: 3
Hazard Note: Harmful/Irritant

4.5 Specification: ?? 3-Hydroxy acetophenone (CAS No.121-71-1), it also can be called m-Hydroxyacetophenone ; 3-Acetylphenol ; 1-(3-Hydroxyphenyl)ethanon ; Ethanone, 1- (3-hydroxyphenyl)- ; m-Acetylphenol ; 1-(3-Hydroxyphenyl)Ethan-1-One . It is beige-brown crystalline powder.

5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Eye irritation, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Warning
Hazard statement(s)	H315 Causes skin irritation H319 Causes serious eye irritation H335 May cause respiratory irritation
Precautionary statement(s)
Prevention	P264 Wash ... thoroughly after handling. P280 Wear protective gloves/protective clothing/eye protection/face protection.
Response	P302+P352 IF ON SKIN: Wash with plenty of water/... P321 Specific treatment (see ... on this label). P332+P313 If skin irritation occurs: Get medical advice/attention. P362+P364 Take off contaminated clothing and wash it before reuse. P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P337+P313 If eye irritation persists: Get medical advice/attention.
Storage	none
Disposal	none

2.3 Other hazards which do not result in classification

none

View all

6. NMR Spectrum

13C NMR : in CDCl3

1H NMR : 90 MHz in CDCl3

IR : KBr disc

IR : nujol mull

Raman : 4880 A,200 M,powder

Mass

7. Synthesis Route

121-71-1Total: 2 Synthesis Route

98-86-2 294 Suppliers

121-71-1 357 Suppliers

85918-30-5

490-78-8 126 Suppliers

Literatures:
Gesson, Jean-Pierre; Jacquesy, Jean-Claude; Jouannetaud, Marie-Paule; Morellet, Guy Tetrahedron Letters, 1983 , vol. 24, # 30 p. 3095 - 3098
Yield: ~17%

87343-72-4

121-71-1 357 Suppliers

1007-36-9 12 Suppliers

Literatures:
Sabbagh, Mohamed Mowafak Al; Calmon, Michelle; Calmon, Jean-Pierre Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999), 1984 , # 7 p. 1233 - 1238
Yield: null

8. Precursor and Product

precursor:

98-86-2

product :

53967-72-9

4502-10-7

30954-71-3

178445-83-5

1197-09-7

89942-63-2

621-37-4

214360-49-3

72712-21-1

1798-09-0

70735-79-4

1167414-89-2

149968-11-6

62932-90-5

2491-37-4

33852-43-6

23042-77-5

61124-56-9

34068-01-4

139306-10-8

30992-63-3

605-55-0

101910-24-1

30879-49-3

View all

9. Computational chemical data

Molecular Weight：136.14792g/mol
Molecular Formula：C₈H₈O₂
XLogP3-AA：1.4
Exact Mass：136.05243
Monoisotopic Mass：136.05243
Complexity：131
Rotatable Bond Count：1
Hydrogen Bond Donor Count：1
Hydrogen Bond Acceptor Count：2
Topological Polar Surface Area：37.3
Heavy Atom Count：10
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1

10. Similar Structures Products

11. Recommended Suppliers

Global(375)Suppliers

Hebei Yanxi Chemical Co.,Ltd 2YRS	3'-HydroxyacetophenoneCAS NO.: 121-71-1 Purity：99% Packing：barrel FOB Price:5600 USD/Kilogram Inquire Products:Division I, the main production Lead acetate phenylacetamide Cyromazine quality is very good! Tel:86-311-66561638 Email:xing@yan-xi.com
Hangzhou Dayangchem Co., Ltd. 9YRS	3-Hydroxyacetophenone Purity：95%, 99% Packing：clients requirement FOB Price:1 USD/Kilogram Inquire Products:Chemical products Tel:86-571-88938639 Email:sales-gc@chinadayangchem.com
Xiamen Zhongyuan Hongye Chemical Co., Ltd. 2YRS	High quality Folinic acid supplier in ChinaCAS NO. Purity：99%min Packing：25kg/drum FOB Price:1 USD/Kilogram Inquire Products:pharmaceutical intermediates, biochemistry and customized chemicals, special chemicals, organic and inorganic chemicals, medical devices, electronic chemicals and biological sciences Tel:+86-0592-5567629 Email:sales@chemzhongyuan.com
Jinlan Pharm-Drugs Technology Co., Limited 8YRS	3'-Hydroxyacetophenone Purity：99% Packing：25KG/DRUM FOB Price:100 USD/Kilogram Inquire Products:Veterinary products,Nutrition products,Agrochemicals,Active pharmaceutical Ingredients,Custom systhesis,Contract manufacturing Tel:86-571-85829152 Email:market@royalpharms.com
Hangzhou Utanpharma biology co,.Ltd 3YRS	3-Hydroxyacetophenone Purity：99% Packing：bags;drums Inquire Products:Our company is an internationally oriented research based pharmaceutical company with headquarters located in Hangzhou,China. Tel:86-571-87758773 Email:balas@utanpharma.com
Nanjing Chemlin Chemical Co., Ltd. 9YRS	3'-Hydroxyacetophenone Purity：99% Packing： Inquire Products:bulk commodities, lab agents, intermediates & fragments, special chemicals, agro-chemicals, APIs, natural ingredients Tel:86-25-83697070 Email:sales@chemlin.com.cn
Career Henan Chemical Co	3'-Hydroxyacetophenone Purity：99% Packing：Cutomized FOB Price:1 USD/Kilogram Inquire Products:Career Henan Chemical Co, facing global High-tech pharmaceutical raw materials, high complex new type intermediates, fine chemicals custom synthesis, scale-up production and Rare chemicals trade. Tel:86-371-86658258
Hubei XinRunde Chemical Co., Ltd	3'-Hydroxyacetophenone Purity：99% Packing：100g/ bag, 2 kg/ bag, 25kg/ carton or as required FOB Price:1 USD/Gram Inquire Products:Pharmaceutical Intermediate; Pharmaceutical Raw Materials; Raw Steroid Powders; Raw Hormone Powders; etc Tel:86-27-83214668
Changzhou Hongyu Chemical Co., ltd	3'-Hydroxyacetophenone Purity：99 Packing：25 kgs drum or IBC Inquire Products:to provide a series pharmacetical chemicals. phosphorus, Pyrimidine, benzene. etc... Tel:86-519-89996110
Hui Chem Company Limited	3'-Hydroxy acetophenone Purity：98% Packing：Aluminum foil bag,or according to your requirements. FOB Price:1 USD/Gram Inquire Products:API, Pharmaceutical intermediates, photoelectronic Materials Tel:86-21-60542966