Product Name

  • Name

    [(9-oxo-9H-thioxanthen-2-yl)oxy]acetic acid

  • EINECS 282-803-8
  • CAS No. 84434-05-9
  • Article Data6
  • CAS DataBase
  • Density 1.415 g/cm3
  • Solubility 18.6mg/L at 20℃
  • Melting Point
  • Formula C15H10O4S
  • Boiling Point 528.9 °C at 760 mmHg
  • Molecular Weight 286.308
  • Flash Point 273.7 °C
  • Transport Information
  • Appearance yellow powder
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 84434-05-9 ([(9-oxo-9H-thioxanthen-2-yl)oxy]acetic acid)
  • Hazard Symbols
  • Synonyms Aceticacid, [(9-oxo-9H-thioxanthen-2-yl)oxy]- (9CI);2-(Carboxymethoxy)thioxanthone;2-Thioxanthonyloxyacetic acid;
  • PSA 91.84000
  • LogP 2.87810

Synthetic route

2-hydroxy thioxanthone
31696-67-0

2-hydroxy thioxanthone

ethyl bromoacetate
105-36-2

ethyl bromoacetate

2-[(9-oxo-9H-thioxanthen-2-yl)oxy]-acetic acid
84434-05-9

2-[(9-oxo-9H-thioxanthen-2-yl)oxy]-acetic acid

Conditions
ConditionsYield
Stage #1: 2-hydroxy thioxanthone With sodium hydroxide In tetrahydrofuran for 1.5h; Reflux;
Stage #2: ethyl bromoacetate In tetrahydrofuran at 40℃; for 4h; Reflux;		91.91%
Thiosalicylic acid
147-93-3

Thiosalicylic acid

2-phenoxyacetic acid
122-59-8

2-phenoxyacetic acid

2-[(9-oxo-9H-thioxanthen-2-yl)oxy]-acetic acid
84434-05-9

2-[(9-oxo-9H-thioxanthen-2-yl)oxy]-acetic acid

Conditions
ConditionsYield
Stage #1: Thiosalicylic acid With sulfuric acid for 0.0833333h;
Stage #2: 2-phenoxyacetic acid at 80℃; for 2h;		80%
With sulfuric acid at 5 - 60℃; for 2h;47%
Stage #1: Thiosalicylic acid With sulfuric acid In water
Stage #2: 2-phenoxyacetic acid In water at 20 - 80℃; for 3.5h;
With sulfuric acid at 20℃; for 2h;
2,2'-dithiobenzoic acid
119-80-2

2,2'-dithiobenzoic acid

2-phenoxyacetic acid
122-59-8

2-phenoxyacetic acid

2-[(9-oxo-9H-thioxanthen-2-yl)oxy]-acetic acid
84434-05-9

2-[(9-oxo-9H-thioxanthen-2-yl)oxy]-acetic acid

Conditions
ConditionsYield
With sulfuric acid at 0 - 25℃; for 1h;76%
2-carboxymethoxythioxanthone ethyl ester

2-carboxymethoxythioxanthone ethyl ester

2-[(9-oxo-9H-thioxanthen-2-yl)oxy]-acetic acid
84434-05-9

2-[(9-oxo-9H-thioxanthen-2-yl)oxy]-acetic acid

Conditions
ConditionsYield
With sodium hydroxide In tetrahydrofuran for 3h; Reflux;28 g
Thiosalicylic acid
147-93-3

Thiosalicylic acid

2-[(9-oxo-9H-thioxanthen-2-yl)oxy]-acetic acid
84434-05-9

2-[(9-oxo-9H-thioxanthen-2-yl)oxy]-acetic acid

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1.1: sulfuric acid / 3 h / 20 - 100 °C
2.1: sodium hydroxide / tetrahydrofuran / 2 h / Reflux
2.2: 3 h / Reflux
3.1: sodium hydroxide / tetrahydrofuran / 3 h / Reflux
View Scheme
phenol
108-95-2

phenol

2-[(9-oxo-9H-thioxanthen-2-yl)oxy]-acetic acid
84434-05-9

2-[(9-oxo-9H-thioxanthen-2-yl)oxy]-acetic acid

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1.1: sulfuric acid / 3 h / 20 - 100 °C
2.1: sodium hydroxide / tetrahydrofuran / 2 h / Reflux
2.2: 3 h / Reflux
3.1: sodium hydroxide / tetrahydrofuran / 3 h / Reflux
View Scheme
2-hydroxy thioxanthone
31696-67-0

2-hydroxy thioxanthone

2-[(9-oxo-9H-thioxanthen-2-yl)oxy]-acetic acid
84434-05-9

2-[(9-oxo-9H-thioxanthen-2-yl)oxy]-acetic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: sodium hydroxide / tetrahydrofuran / 2 h / Reflux
1.2: 3 h / Reflux
2.1: sodium hydroxide / tetrahydrofuran / 3 h / Reflux
View Scheme
2-[(9-oxo-9H-thioxanthen-2-yl)oxy]-acetic acid
84434-05-9

2-[(9-oxo-9H-thioxanthen-2-yl)oxy]-acetic acid

C3H5O2Pol

C3H5O2Pol

C54H66O20S2

C54H66O20S2

Conditions
ConditionsYield
at 150 - 180℃; for 18h; Polyoxyethylene;100%
2-[(9-oxo-9H-thioxanthen-2-yl)oxy]-acetic acid
84434-05-9

2-[(9-oxo-9H-thioxanthen-2-yl)oxy]-acetic acid

2-[(9-oxo-9H-thioxanthen-2-yl)oxy]acetyl chloride

2-[(9-oxo-9H-thioxanthen-2-yl)oxy]acetyl chloride

Conditions
ConditionsYield
With thionyl chloride In tetrahydrofuran for 24h; Reflux;100%
With thionyl chloride at 20℃; Inert atmosphere;
2-[(9-oxo-9H-thioxanthen-2-yl)oxy]-acetic acid
84434-05-9

2-[(9-oxo-9H-thioxanthen-2-yl)oxy]-acetic acid

C4H9O2Pol

C4H9O2Pol

p-N,N-dimethylaminobenzoic acid
619-84-1

p-N,N-dimethylaminobenzoic acid

C36H43NO8S

C36H43NO8S

Conditions
ConditionsYield
toluene-4-sulfonic acid at 200℃; for 5h; Polytetrahydrofuran; Neat (no solvent);86%
...Expand
Trimethyl orthoacetate
1445-45-0

Trimethyl orthoacetate

2-[(9-oxo-9H-thioxanthen-2-yl)oxy]-acetic acid
84434-05-9

2-[(9-oxo-9H-thioxanthen-2-yl)oxy]-acetic acid

(9-oxo-9H-thioxanthen-2-yloxy)-acetic acid methyl ester
1129771-54-5

(9-oxo-9H-thioxanthen-2-yloxy)-acetic acid methyl ester

Conditions
ConditionsYield
With sulfuric acid In methanol at 60℃; for 2h;45%
2-[(9-oxo-9H-thioxanthen-2-yl)oxy]-acetic acid
84434-05-9

2-[(9-oxo-9H-thioxanthen-2-yl)oxy]-acetic acid

4-Hydroxybutyl acrylate glycidyl ether
119692-59-0

4-Hydroxybutyl acrylate glycidyl ether

acrylic acid 4-{2-hydroxy-3-[2-(9-oxo-9H-thioxanthen-2-yloxy)-acetoxy]-propoxy}-butyl ester
1214748-81-8

acrylic acid 4-{2-hydroxy-3-[2-(9-oxo-9H-thioxanthen-2-yloxy)-acetoxy]-propoxy}-butyl ester

Conditions
ConditionsYield
With 2,6-di-tert-butyl-4-methyl-phenol; tetrabutylammomium bromide In ISOPROPYLAMIDE; acetonitrile for 16h; Reflux;
With 2,6-di-tert-butyl-4-methyl-phenol; tetrabutylammomium bromide In acetonitrile for 16h; Reflux;1.8 g
2-[(9-oxo-9H-thioxanthen-2-yl)oxy]-acetic acid
84434-05-9

2-[(9-oxo-9H-thioxanthen-2-yl)oxy]-acetic acid

sodium (9-oxo-9H-thioxanthen-2-yloxy)-acetate
1233918-13-2

sodium (9-oxo-9H-thioxanthen-2-yloxy)-acetate

Conditions
ConditionsYield
With sodium hydroxide at 100℃; for 24h;
2-[(9-oxo-9H-thioxanthen-2-yl)oxy]-acetic acid
84434-05-9

2-[(9-oxo-9H-thioxanthen-2-yl)oxy]-acetic acid

2,6-di-tert-butyl-4-methyl-phenol
128-37-0

2,6-di-tert-butyl-4-methyl-phenol

4-Hydroxybutyl acrylate glycidyl ether
119692-59-0

4-Hydroxybutyl acrylate glycidyl ether

acrylic acid 4-{2-hydroxy-3-[2-(9-oxo-9H-thioxanthen-2-yloxy)-acetoxy]-propoxy}-butyl ester
1214748-81-8

acrylic acid 4-{2-hydroxy-3-[2-(9-oxo-9H-thioxanthen-2-yloxy)-acetoxy]-propoxy}-butyl ester

Conditions
ConditionsYield
With tetrabutylammomium bromide In ISOPROPYLAMIDE; acetonitrile
...Expand
2-[(9-oxo-9H-thioxanthen-2-yl)oxy]-acetic acid
84434-05-9

2-[(9-oxo-9H-thioxanthen-2-yl)oxy]-acetic acid

Reaxys ID: 32192832

Reaxys ID: 32192832

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: thionyl chloride / tetrahydrofuran / 24 h / Reflux
2: triethylamine / tetrahydrofuran / Reflux
View Scheme

((9-Oxo-9H-thioxanthen-2-yl)oxy)acetic acid Specification

With the CAS registry number 84434-05-9, the IUPAC name of this chemical is 2-(9-oxothioxanthen-2-yl)oxyacetic acid. It is yellow powder which is used as ink light initiator. Additionally, this chemical should be sealed in the container and keep it in dry and cool place.

The other characteristics of ((9-Oxo-9H-thioxanthen-2-yl)oxy)acetic acid can be summarized as: (1)ACD/LogP: 3.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.69; (4)ACD/LogD (pH 7.4): -0.54; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.46; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.685; (13)Molar Refractivity: 74.96 cm3; (14)Molar Volume: 197.1 cm3; (15)Polarizability: 29.71 10-24cm3; (16)Surface Tension: 66.4 dyne/cm; (17)Enthalpy of Vaporization: 84.62 kJ/mol; (18)Vapour Pressure: 5.13E-12 mmHg at 25°C; (19)Rotatable Bond Count: 3; (20)Exact Mass: 286.029979; (21)MonoIsotopic Mass: 286.029979; (22)Topological Polar Surface Area: 88.9; (23)Heavy Atom Count: 20.

People can use the following data to convert to the molecule structure.
1. SMILES:O=C(O)COc2cc1C(=O)c3c(Sc1cc2)cccc3
2. InChI:InChI=1/C15H10O4S/c16-14(17)8-19-9-5-6-13-11(7-9)15(18)10-3-1-2-4-12(10)20-13/h1-7H,8H2,(H,16,17)

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