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Acetic acid,[2-[4-(carboxymethoxy)benzoyl]-5-methoxyphenoxy]- (9CI) structure
Acetic acid,[2-[4-(carboxymethoxy)benzoyl]-5-methoxyphenoxy]- (9CI) structure

Acetic acid,[2-[4-(carboxymethoxy)benzoyl]-5-methoxyphenoxy]- (9CI)

Iupac Name:sodium;dodecyl sulfate
CAS No.: 151-21-3
Molecular Weight:288.378
Modify Date.: 2022-03-08 07:28
1. Names and Identifiers
1.1 Name
Acetic acid,[2-[4-(carboxymethoxy)benzoyl]-5-methoxyphenoxy]- (9CI)
1.2 Synonyms

(2-(4-(Carboxymethoxy)benzoyl)-5-methoxyphenoxy)acetic acid Acetic acid, (2-(4-(carboxymethoxy)benzoyl)-5-methoxyphenoxy)- BRN 2311144 CTK9A3949 DTXSID30226195

1.3 CAS No.
151-21-3
1.4 CID
3423265
1.5 Molecular Formula
C2Br3N (isomer)
1.6 Inchi
InChI=1S/C12H26O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h2-12H2,1H3,(H,13,14,15);/q;+1/p-1
1.7 InChkey
DBMJMQXJHONAFJ-UHFFFAOYSA-M
1.8 Canonical Smiles
CCCCCCCCCCCCOS(=O)(=O)[O-].[Na+]
1.9 Isomers Smiles
CCCCCCCCCCCCOS(=O)(=O)[O-].[Na+]
2. Properties
3.1 Density
1.02
3.1 Melting point
206℃
3.1 Precise Quality
288.13700
3.1 PSA
74.81000
3.1 logP
4.46490
3. Safety and Handling
4.1 Symbol
GHS02, GHS05, GHS07
4.1 Signal Word
Danger
4.1 Risk Statements
R11;R22;R36/38
4.1 Safety Statements
S26;S36/37/39
4.1 Packing Group
Z01
4.1 Hazard Class
4.1
4.1 Hazard Declaration
H228-H302 + H332-H315-H318-H335-H412
4.1 RIDADR
UN 2926
4.1 Caution Statement
P210-P261-P273-P280-P305 + P351 + P338
4.1 WGK Germany
2
4.1 RTECS
WT1050000
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Skin irritation, Category 2

Serious eye damage, Category 1

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H302 Harmful if swallowed

H315 Causes skin irritation

H318 Causes serious eye damage

H412 Harmful to aquatic life with long lasting effects

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.

P273 Avoid release to the environment.

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/...

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.

P310 Immediately call a POISON CENTER/doctor/\u2026

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

5. Computational chemical data
  • Molecular Weight: 288.378g/mol
  • Molecular Formula: C2Br3N
  • Compound Is Canonicalized: True
  • XLogP3-AA: null
  • Exact Mass: 288.13712473
  • Monoisotopic Mass: 288.13712473
  • Complexity: 249
  • Rotatable Bond Count: 12
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Topological Polar Surface Area: 74.8
  • Heavy Atom Count: 18
  • 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: 2
  • CACTVS Substructure Key Fingerprint: AAADceBwOCBAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAAAACACggAICAAAAAAAAAAAAADAAAAAAAAAAAAAAAAAAAAIAAAAAAAAEAAAAAAGAwKAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
6. Question & Answer
  • Sodium dodecyl sulfate is most researched and best understood widely used anionic surfactant. It is obtained in a state of powder as well as in pellet and used in Polymer Biotechnology and Biochemistry. This review article is related to present and future uses of sodium dodecylsulphate in different...
8. Realated Product Infomation