Butanedioic acid, mono[[4-(hydroxymethyl)phenyl]methyl] ester (9CI)
- Iupac Name:2-[bis(2-hydroxyethyl)amino]ethanol
- CAS No.: 102-71-6
- Molecular Weight:149.19
- Modify Date.: 2022-03-08 00:35
1. Names and Identifiers
- 1.1 Name
- Butanedioic acid, mono[[4-(hydroxymethyl)phenyl]methyl] ester (9CI)
- 1.2 Synonyms
Butanedioic acid, mono[[4-(hydroxymethyl)phenyl]methyl] ester (9CI)
- 1.3 CAS No.
- 102-71-6
- 1.4 CID
- 7618
- 1.5 Molecular Formula
- C15H17BO5 (isomer)
- 1.6 Inchi
- InChI=1S/C6H15NO3/c8-4-1-7(2-5-9)3-6-10/h8-10H,1-6H2
- 1.7 InChkey
- GSEJCLTVZPLZKY-UHFFFAOYSA-N
- 1.8 Canonical Smiles
- C(CO)N(CCO)CCO
- 1.9 Isomers Smiles
- C(CO)N(CCO)CCO
2. Properties
- 3.1 Density
- 1.42
- 3.1 Melting point
- 21 °C
- 3.1 Boiling point
- 628.852°C at 760 mmHg
- 3.1 Refractive index
- n20/D 1.485(lit.)
- 3.1 Flash Point
- 172.4°C
- 3.1 Vapour pressure
- 0.01 mm Hg ( 20 °C)
- 3.1 Precise Quality
- 149.10500
- 3.1 PSA
- 63.93000
- 3.1 logP
- -1.73470
3. Safety and Handling
- 4.1 Risk Statements
- 36/37/38-36
- 4.1 Safety Statements
- 26-39-36
- 4.1 RIDADR
- NONH for all modes of transport
- 4.1 WGK Germany
- 1
- 4.1 RTECS
- KL9275000
4. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
Not classified.
2.2 GHS label elements, including precautionary statements
Pictogram(s) | No symbol. |
Signal word | No signal word. |
Hazard statement(s) | none |
Precautionary statement(s) | |
Prevention | none |
Response | none |
Storage | none |
Disposal | none |
2.3 Other hazards which do not result in classification
none
5. Computational chemical data
- Molecular Weight: 149.19g/mol
- Molecular Formula: C15H17BO5
- Compound Is Canonicalized: True
- XLogP3-AA: null
- Exact Mass: 149.10519334
- Monoisotopic Mass: 149.10519334
- Complexity: 55.7
- Rotatable Bond Count: 6
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Topological Polar Surface Area: 63.9
- 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
- CACTVS Substructure Key Fingerprint: AAADccBiMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAACAAAAADhgAYAAAMAAgAAAAAAAAAAAAAAAAAAAAAIAAACEAAAAAAAAAAAAACQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
6. Question & Answer
-
You'd have to use the equation relating pKb and pOH. I'm sure it's in your textbook. But, you will run into the problem that prevents my answering this question. The definition of pH is the negative log of the H+ concentration expressed in molarity. To get molarity you need moles of solute and lite...
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General Description Triethanolamine,or TEA is a viscous, colourless/pale yellow liquid with a weak ammoniacal odour. Triethanolamine is incompatible with copper, copper alloys, galvanised iron, acids, and oxidisers. TEA is both a tertiary amine and a triol. A triol is a molecule with three alcohol ...
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