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1-Methyl (2R)-2-methylpentanedioate structure
1-Methyl (2R)-2-methylpentanedioate structure

1-Methyl (2R)-2-methylpentanedioate

Iupac Name:oxomolybdenum
CAS No.:1313-27-5
Molecular Weight:111.949
1. Names and Identifiers
1.1 Name
1-Methyl (2R)-2-methylpentanedioate
1.2 Synonyms

(4R)-5-Methoxy-4-methyl-5-oxopentanoic acid Glutaric acid, 2-methyl-, 1-methyl ester, (R)-(-)- Pentanedioic acid, 2-methyl-, 1-methyl ester, (2R)-

1.3 CAS No.
1313-27-5
1.4 CID
14802
1.5 Molecular Formula
C6H10Cl2O2 (isomer)
1.6 Inchi
InChI=1S/Mo.3O
1.7 InChkey
JKQOBWVOAYFWKG-UHFFFAOYSA-N
1.8 Canonical Smiles
O=[Mo](=O)=O
1.9 Isomers Smiles
O=[Mo](=O)=O
2. Properties
3.1 Melting point
795 °C(lit.)
3.1 Boiling point
67-68 °C @ Press: 1.5 Torr
3.1 Precise Quality
115.91600
3.1 PSA
9.23000
3.1 logP
-0.06430
3. Safety and Handling
4.1 Symbol
GHS07, GHS08
4.1 Signal Word
Warning
4.1 Risk Statements
R36/37:;R48/20/22:;
4.1 Safety Statements
S22:;S25:;
4.1 Hazard Class
6.1
4.1 Hazard Declaration
H319-H335-H351
4.1 RIDADR
NONH for all modes of transport
4.1 Caution Statement
P261-P281-P305 + P351 + P338
4.1 WGK Germany
1
4.1 RTECS
QA4725000
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Eye irritation, Category 2

Specific target organ toxicity \u2013 single exposure, Category 3

Carcinogenicity, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H319 Causes serious eye irritation

H335 May cause respiratory irritation

H351 Suspected of causing cancer

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P271 Use only outdoors or in a well-ventilated area.

P201 Obtain special instructions before use.

P202 Do not handle until all safety precautions have been read and understood.

Response

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.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

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

P308+P313 IF exposed or concerned: Get medical advice/ attention.

Storage

P403+P233 Store in a well-ventilated place. Keep container tightly closed.

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

5. Computational chemical data
  • Molecular Weight:111.949g/mol
  • Molecular Formula:C6H10Cl2O2
  • Compound Is Canonicalized:True
  • XLogP3-AA:
  • Exact Mass:145.890147
  • Monoisotopic Mass:145.890147
  • Complexity:61.8
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:51.2
  • Heavy Atom Count:4
  • 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
6. Question & Answer
  • Molybdenum is an essential element with relatively low toxicity. Enzymes containing molybdenum catalyze basic metabolic reactions in the carbon, sulfur, and nitrogen cycles. Elimination of molybdenum occurs via the kidney and usually is complete within several weeks. Molybdenosis (teart) is a form ...
  • Molybdenum trioxide is chemical compound with the formula MoO3. This compound is produced on the largest scale of any molybdenum compound. It is an intermediate in the production of molybdenum metal. It is also an important industrial catalyst. Molybdenum trioxide occurs as the rare mineral molybdi...
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