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MOLPORT-020-160-198 structure
MOLPORT-020-160-198 structure

MOLPORT-020-160-198

Iupac Name:methanol
CAS No.:67-56-1
Molecular Weight:32.04
1. Names and Identifiers
1.1 Name
MOLPORT-020-160-198
1.2 Synonyms

MCULE-2915642960 n-[1-(1,2,4-triazol-1-yl)propan-2-yl]butane-1-sulfonamide n-[1-(1h-1,2,4-triazol-1-yl)propan-2-yl]butane-1-sulfonamide Z1127188892

1.3 CAS No.
67-56-1
1.4 CID
887
1.5 Molecular Formula
C20H40O2 (isomer)
1.6 Inchi
InChI=1S/CH4O/c1-2/h2H,1H3
1.7 InChkey
OKKJLVBELUTLKV-UHFFFAOYSA-N
1.8 Canonical Smiles
CO
1.9 Isomers Smiles
CO
2. Properties
3.1 Melting point
-98 °C(lit.)
3.1 Refractive index
n20/D 1.329(lit.)
3.1 Vapour pressure
410 mm Hg ( 50 °C)
3.1 Precise Quality
32.02620
3.1 PSA
20.23000
3.1 logP
-0.39150
3. Safety and Handling
4.1 Symbol
GHS02, GHS06, GHS08
4.1 Signal Word
Danger
4.1 Risk Statements
10-20/21/22-68/20/21/22-39/23/24/25-23/24/25-11-40-36-36/38-23/25
4.1 Safety Statements
36/37-7-45-16-24/25-23-24-26
4.1 Packing Group
II
4.1 Hazard Class
3
4.1 Hazard Declaration
H225-H301 + H311 + H331-H370
4.1 RIDADR
UN 1170 3/PG 2
4.1 Caution Statement
P210-P260-P280-P301 + P310-P311
4.1 WGK Germany
1
4.1 RTECS
PC1400000
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Flammable liquids, Category 2

Acute toxicity - Oral, Category 3

Acute toxicity - Dermal, Category 3

Acute toxicity - Inhalation, Category 3

Specific target organ toxicity \u2013 single exposure, Category 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H225 Highly flammable liquid and vapour

H301 Toxic if swallowed

H311 Toxic in contact with skin

H331 Toxic if inhaled

Precautionary statement(s)
Prevention

P210 Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking.

P233 Keep container tightly closed.

P240 Ground and bond container and receiving equipment.

P241 Use explosion-proof [electrical/ventilating/lighting/...] equipment.

P242 Use non-sparking tools.

P243 Take action to prevent static discharges.

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

P264 Wash ... thoroughly after handling.

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

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

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

P260 Do not breathe dust/fume/gas/mist/vapours/spray.

Response

P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower].

P370+P378 In case of fire: Use ... to extinguish.

P301+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/\u2026

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

P330 Rinse mouth.

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

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

P361+P364 Take off immediately all contaminated clothing and wash it before reuse.

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

P311 Call a POISON CENTER/doctor/\u2026

P308+P311 IF exposed or concerned: Call a POISON CENTER/doctor/...

Storage

P403+P235 Store in a well-ventilated place. Keep cool.

P405 Store locked up.

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

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

5. Computational chemical data
  • Molecular Weight:32.04g/mol
  • Molecular Formula:C20H40O2
  • Compound Is Canonicalized:True
  • XLogP3-AA:_0.5
  • Exact Mass:32.026214747
  • Monoisotopic Mass:32.026214747
  • Complexity:2
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:20.2
  • Heavy Atom Count:2
  • 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
  • Yes. If it gets in their body, an enzyme, alcohol dehydrogenase, will convert methanol into formaldehyde. Small amounts can lead to blindness, larger amounts can kill.
  • it doesn’t stop all reactions. In fact it’s a great solvent for many reactions. It’s possible that if you’re using an enzyme, the methanol would destroy its tertiary structure and the rxn would effectively stop.
  • I sincerely hope that if by “we” you mean humans then “we” drink ethanol. Drinking methanol does not last. If I recall it correctly the lethal dose of methanol is about 30 ml (about 1 fl oz)
  • Looking at the two reactions below you will understand why methane produces more heat of combustion: CH4 + 2O2 → CO2 + 2H2O CH3OH + O2 → CO2 + 2H2O The methanol to be combusted requires one oxygen molecule while methane requires two oxygen molecules. So even, if the products obtained are identica...
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