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Home > Encyclopedia > 2,6-Dimethyl-4-heptanol

2,6-Dimethyl-4-heptanol

2,6-Dimethyl-4-heptanol structure

2,6-Dimethyl-4-heptanol 

structure
  • CAS No:

    108-82-7

  • Formula:

    C9H20O

  • Chemical Name:

    2,6-Dimethyl-4-heptanol

  • Synonyms:

    4-Heptanol,2,6-dimethyl-;2,6-Dimethyl-4-heptanol;Diisobutylcarbinol;2,6-Dimethyl-4-heptyl alcohol;NSC 62683;Diisobutylmethanol;84295-44-3

  • Categories:

    Cosmetic Ingredient  >  Perfuming

Description

Liquid


Diisobutylcarbinol appears as a colorless liquid. Flash point 162°F. Less dense than water and insoluble in water. Vapors heavier than air.|Liquid|colourless liquid


Diisobutylcarbinol appears as a colorless liquid. Flash point 162°F. Less dense than water and insoluble in water. Vapors heavier than air.|Diisobutylcarbinol is a secondary alcohol.

2,6-Dimethyl-4-heptanol Basic Attributes

144.25

144.25

203-619-6

X5ATE41R0F

62683

1986

DTXSID8026802

COLORLESS LIQUID

2905199090

Characteristics

20.2

3

Diisobutylcarbinol appears as a colorless liquid. Flash point 162°F. Less dense than water and insoluble in water. Vapors heavier than air.

0.809 g/cm3 @ Temp: 21 °C

FP: SETS TO GLASS BELOW -65 DEG C

176-177 °C @ Press: 760 Torr

158 °F

1.427

H2O: insoluble

Keep container closed when not in use. Store in a cool, dry, well-ventilated area away from incompatible substances.

0.21 MM HG @ 20 DEG C

4.97 (AIR= 1)

Oral-Rat LD50:3560 mg/kg; Oral-Mouse LD50: 3560 mg/kg

Flammable; burning produces irritating fumes

Insoluble in water.

Alcohols and Polyols

DIISOBUTYLCARBINOL is an alcohol. 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.

494 °F (USCG, 1999)

Safety Information

I; II; III

NA 1993 / PGIII

2

36/37/38

26-36/37/39-24/25

MJ3325000

Warehouse ventilated, low temperature and dry

Stable under normal temperatures and pressures.

P210, P264, P280, P305+P351+P338, P337+P313, P370+P378, P403+P235, P501

H227

Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]: HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion and poison hazard indoors, outdoors or in sewers. Those substances designated with a (P) may polymerize explosively when heated or involved in a fire. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water. (ERG, 2016)

|Warning|H319 (93.36%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]|P261, P264, P271, P273, P280, P304+P340, P305+P351+P338, P312, P337+P313, P403+P233, P405, and P501|Aggregated GHS information provided by 1821 companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H227: Combustible liquid [Warning Flammable liquids]|P210, P264, P280, P305+P351+P338, P337+P313, P370+P378, P403+P235, and P501

Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]: CAUTION: All these products have a very low flash point: Use of water spray when fighting fire may be inefficient. SMALL FIRE: Dry chemical, CO2, water spray or alcohol-resistant foam. LARGE FIRE: Water spray, fog or alcohol-resistant foam. Move containers from fire area if you can do it without risk. Dike fire-control water for later disposal; do not scatter the material. Use water spray or fog; do not use straight streams. FIRE INVOLVING TANKS OR CAR/TRAILER LOADS: Fight fire from maximum distance or use unmanned hose holders or monitor nozzles. Cool containers with flooding quantities of water until well after fire is out. Withdraw immediately in case of rising sound from venting safety devices or discoloration of tank. ALWAYS stay away from tanks engulfed in fire. For massive fire, use unmanned hose holders or monitor nozzles; if this is impossible, withdraw from area and let fire burn. (ERG, 2016)

Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]: As an immediate precautionary measure, isolate spill or leak area for at least 50 meters (150 feet) in all directions. SPILL: Increase, in the downwind direction, as necessary, the isolation distance shown above. 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 131 [Flammable Liquids - Toxic]: Fully encapsulating, vapor-protective clothing should be worn for spills and leaks with no fire. 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. SMALL SPILL: Absorb with earth, sand or other non-combustible material and transfer to containers for later disposal. 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)

Air-supplied mask for prolonged exposure; plastic gloves; goggles. (USCG, 1999)

Toxicity

moderately toxic

Drug Information

None expected (USCG, 1999)

SKIN AND EYES: Flush with water (USCG, 1999)

...VAPOR FORM...CAUSE EYE IRRITATION IN HUMAN BEINGS @ CONCN OF 5 PPM IN AIR.|LOW TOXICITY.

2,6-dimethyl-4-heptanol

2,6-Dimethyl-4-heptanol Use and Manufacturing

Methods of Manufacturing

By diisobutyl ketone catalytic hydrogenation.

Uses

Diisobutylcarbinol is used as a fragrance ingredient.


Intermediates


Chemical intermediate.

Production

1,000,000 - 10,000,000 lb|(1977) NOT PRODUCED COMMERCIALLY IN US|(1979) NOT PRODUCED COMMERCIALLY IN US

All other basic inorganic chemical manufacturing|4-Heptanol, 2,6-dimethyl-: ACTIVE|FEMA NUMBER 3140|REPORTED USES: IN NON-ALCOHOLIC BEVERAGES, ICE CREAMS, ICES, CANDY, GELATINS & PUDDINGS, CHEWING GUM: 20.0 PPM.

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index

Flavoring Agents

Computed Properties

Molecular Weight:144.25
XLogP3:3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:144.151415257
Monoisotopic Mass:144.151415257
Topological Polar Surface Area:20.2
Heavy Atom Count:10
Complexity:66.8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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