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Home> Encyclopedia >   /  Alcohol & Hydroxybenzene & Ether  /  Others  /  Pharmaceutical Intermediates  /  Others  /  Other Organic Chemicals
Carboset XPD 1234 structure
Carboset XPD 1234 structure

Carboset XPD 1234

Iupac Name:benzene-1,2-diol
CAS No.:120-80-9
Molecular Weight:110.11064
Introduction: Excipient. POLYMETHACRYLATESupplier
1. Names and Identifiers
1.1 Name
Carboset XPD 1234
1.2 Synonyms

2-methyl-2-propenoicacipolymerwithmethyl2-methyl-2-propenoate METHACRYLIC ACID POLYMER methyl methacrylate/ methacrylic acid polymer METHYL METHACRYLATE-METHACRYLIC ACID COPOLYMER MICRO PARTICLES BASED ON POLYMETHACRYLATE POLY(METHACRYLIC ACID) AMMONIUM SALT POLY(METHYL METHACRYLATE/METHACRYLIC ACID) POLY(METHYL METHACRYLATE-CO-METHACRYLIC ACID)

1.3 CAS No.
120-80-9
1.4 CID
289
1.5 EINECS(EC#)
247-017-1
1.6 Molecular Formula
C5H10OS2 (isomer)
1.7 Inchi
InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
1.8 InChkey
YCIMNLLNPGFGHC-UHFFFAOYSA-N
1.9 Canonical Smiles
C1=CC=C(C(=C1)O)O
1.10 Isomers Smiles
C1=CC=C(C(=C1)O)O
2. 3D Conformer
3. Properties
3.1 Melting Point
103-106℃
3.2 Boiling Point
483°Cat760mmHg
3.3 Vapour
0.018mmHg at 25°C
3.4 Refractive Index
1.612
3.5 Flash Point
224.9°C
3.6 Chemical Properties
White or almost white, free-flowing powder.
3.7 Solubility
Practically insoluble in water, freely soluble in anhydrous ethanol and in 2-propanol, practically insoluble in ethyl acetate. It is freely soluble in a 40 g/L solution of sodium hydroxide.
3.8 StorageTemp
2-8°C
4. Use and Manufacturing
4.1 Usage
Excipient. POLYMETHACRYLATESupplier
5. Safety and Handling
5.1 Risk Statements
R21/22;R36/38
5.2 Safety Statements
S22;S26;S37
5.3 HazardClass
6.1
5.4 Hazard Note
H301 + H311; H315; H317; H318; H332; H341
5.5 PackingGroup
III
5.6 Transport
UN 2811
6. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Acute toxicity - Dermal, Category 4

Skin irritation, Category 2

Eye irritation, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

H312 Harmful in contact with skin

H315 Causes skin irritation

H319 Causes serious eye irritation

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

P302+P352 IF ON SKIN: Wash with plenty of water/...

P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.

P321 Specific treatment (see ... on this label).

P362+P364 Take off contaminated clothing and wash it before reuse.

P332+P313 If skin irritation occurs: Get medical advice/attention.

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

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

7. Computational chemical data
  • Molecular Weight:110.11064g/mol
  • Molecular Formula:C5H10OS2
  • XLogP3-AA:0.9
  • Exact Mass:110.036779
  • Monoisotopic Mass:110.036779
  • Complexity:62.9
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:40.5
  • Heavy Atom Count:8
  • 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
9. Question & Answer
  • Is catechol (o-dihydroxybenzene) more prone to auto-oxidation than p-dihydroxybenzene or m-dihydroxybenzene? If so, why? Apparently, both dopamine and caffeic acid are prone to auto-oxidation. So I wonder if it's a property of o-dihydroxybenzenes in general.
  • I was thinking of ways to synthesize 2,2-bis(dihydroxyphenyl) propane and I thought it could be made by a condensation reaction between dihydroxybenzene (catechol) and acetone in strongly acidic conditions. At first, the catechol would probably form the acetal (even though the former compound could...
  • Esters of catechol undergo the Fries rearrangement But one product is formed more than the other. I believe it is due to the electron withdrawing nature of the O C O C H X 3 " style="position: relative;" tabindex="0" id="MathJax-Element-2-Frame" class="MathJax" O C O C H X 3 O C O C H X 3 group whi...
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