2-Methyl-3-buten-2-ol
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2-Methyl-3-buten-2-ol
structure -
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CAS No:
115-18-4
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Formula:
C5H10O
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Chemical Name:
2-Methyl-3-buten-2-ol
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Synonyms:
3-Buten-2-ol,2-methyl-;2-Methyl-3-buten-2-ol;Dimethylvinylcarbinol;α,α-Dimethylallyl alcohol;Dimethylvinylmethanol;1,1-Dimethyl-2-propen-1-ol;2-Hydroxy-2-methyl-3-butene;2-Methyl-2-hydroxy-3-butene;3-Methyl-1-buten-3-ol;Vinyldimethylcarbinol;3-Hydroxy-3-methyl-1-butene;2-Methyl-3-buten-2-yl alcohol;1,1-Dimethylallyl alcohol;3-Hydroxy-3-methylbutene;3-Methyl-3-hydroxybutene;NSC 15977;1,1-Dimethyl-2-propenyl alcohol;Isoprenyl alcohol;2-Methylbut-3-en-2-ol
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CAS No:
Description
clear colourless to very slightly yellow liquidColorless liquid.
Methyl butenol is a colorless liquid. (USCG, 1999)|Liquid|COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR.
Methyl butenol is a colorless liquid. (USCG, 1999)|3-hydroxy-3-methylbut-1-ene is a tertiary alcohol that is 3-methylbut-1-ene carrying a hydroxy substituent at position 3. It has a role as a fragrance, a pheromone, a plant metabolite and an animal metabolite. It is a tertiary alcohol and an olefinic compound. It derives from a hydride of a 3-methylbut-1-ene.
2-Methyl-3-buten-2-ol Basic Attributes
86.13
86.13
1698263
204-068-4
SH64HE46L9
1719
15977
1987|1993
DTXSID3047471
29052990
Characteristics
20.2
0.66
Clear colorless to very slightly yellow Liquid
0.8279 g/cm3 @ Temp: 16 °C
-28 °C
97 °C
56 °F
n 20/D 1.416(lit.)
Solubility in water, g/100ml at 20°C: 19 (good)
Flammables area
51 mm Hg ( 25 °C)
Relative vapour density (air = 1): 3.0
LD50 orally in Rabbit: 1800 mg/kg
1.5-9.4%(V)
6.48e-11 cm3/molecule*sec
2.08e-05 atm-m3/mole
Slightly soluble in water.
Alcohols and Polyols
An unsaturated aliphatic/alcohol. The unsaturated aliphatic hydrocarbons are generally much more reactive than the alkanes, which are saturated aliphatic hydrocarbons. Strong oxidizers may react vigorously with them. Reducing agents can react exothermically to release gaseous hydrogen. Flammable and/or toxic gases are generated by the combination of alcohols with alkali metals, nitrides, and strong reducing agents. They react with oxoacids and carboxylic acids to form esters plus water. Oxidizing agents convert them to aldehydes or ketones. Alcohols exhibit both weak acid and weak base behavior. They may initiate the polymerization of isocyanates and epoxides.
380 °C
The vapour mixes well with air, explosive mixtures are easily formed.
Safety Information
II
3
UN 1987 3/PG 2
1
11-22-36
16-26-36
EM9472000
F,Xn,F++
Fireproof. Separated from oxidants. Well closed. Ventilation along the floor. Store in an area without drain or sewer access.
Stable under normal temperatures and pressures.
P210-P280-P301 + P312 + P330-P305 + P351 + P338-P337 + P313-P403 + P235
H225-H302-H315-H319
UN 1987 3
Special Hazards of Combustion Products: Vapor may travel considerable distance to a source of ignition and flash back. (USCG, 1999)|Highly flammable. Heating will cause rise in pressure with risk of bursting. Vapour/air mixtures are explosive.
|Danger|H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P312, P303+P361+P353, P305+P351+P338, P330, P337+P313, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 1705 companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H225: Highly Flammable liquid and vapor [Danger Flammable liquids]|P201, P202, P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P281, P301+P312, P303+P361+P353, P304+P340, P308+P313, P312, P330, P370+P378, P403+P233, P403+P235, P405, and P501
Fire Extinguishing Agents Not to Be Used: Water may be ineffective. Fire Extinguishing Agents: Carbon dioxide, dry chemical, alcohol foam. (USCG, 1999)|Use carbon dioxide, dry powder. In case of fire: keep drums, etc., cool by spraying with water.
Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]: As an immediate precautionary measure, isolate spill or leak area for at least 50 meters (150 feet) in all directions. LARGE SPILL: Consider initial downwind evacuation for at least 300 meters (1000 feet). FIRE: If tank, rail car or tank truck is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2016)
Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]: ELIMINATE all ignition sources (no smoking, flares, sparks or flames in immediate area). All equipment used when handling the product must be grounded. Do not touch or walk through spilled material. Stop leak if you can do it without risk. Prevent entry into waterways, sewers, basements or confined areas. A vapor-suppressing foam may be used to reduce vapors. Absorb or cover with dry earth, sand or other non-combustible material and transfer to containers. Use clean, non-sparking tools to collect absorbed material. LARGE SPILL: Dike far ahead of liquid spill for later disposal. Water spray may reduce vapor, but may not prevent ignition in closed spaces. (ERG, 2016)
Self-contained breathing apparatus, rubber boots and heavy rubber gloves. (USCG, 1999)
Explosive limits , vol% in air: 1.5 - 9.4
Remove all ignition sources. Evacuate danger area! Consult an expert! Personal protection: complete protective clothing including self-contained breathing apparatus. Collect leaking liquid in sealable containers. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations. Do NOT wash away into sewer.
Fireproof. Separated from oxidants. Well closed. Ventilation along the floor. Store in an area without drain or sewer access.
No indication can be given about the rate at which a harmful concentration of this substance in the air is reached.
The substance is irritating to the eyes.
NO open flames, NO sparks and NO smoking. Closed system, ventilation, explosion-proof electrical equipment and lighting. Use non-sparking handtools.
Use ventilation.
Protective gloves.
Wear safety spectacles.
Drug Information
Harmful if inhaled or swallowed. Material is irritating to mucous membrane and upper respiratory tract. (USCG, 1999)
INHALATION: Call for medical aid. Remove to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. EYES: Flush with copious amounts of water for at least 15 minutes. SKIN: Wash with soap and copious amounts of water. (USCG, 1999)
Fresh air, rest.
Rinse skin with plenty of water or shower.
Rinse with plenty of water (remove contact lenses if easily possible).
2-methyl-3-buten-2-ol
The substance can be absorbed into the body by ingestion.
Cough. Sore throat.
Redness.
2-Methyl-3-buten-2-ol Use and Manufacturing
Mainly used in the production of isophytol (the main intermediate of VE), DV chrysanthemum (intermediate of pyrethroids), the synthesis of vitamin A, carotenoid intermediates, the synthesis of rubber monomers and spices, but also for organic synthesis, methyl butyrate Enol is the main component of pheromones for controlling forest pests (beetles).
3-Buten-2-ol, 2-methyl-: ACTIVE
Food additives -> Flavoring Agents
Flavoring Agents
Computed Properties
Molecular Weight:86.13
XLogP3:0.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:86.073164938
Monoisotopic Mass:86.073164938
Topological Polar Surface Area:20.2
Heavy Atom Count:6
Complexity:55
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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