3-Octanol
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3-Octanol
structure -
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CAS No:
589-98-0
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Formula:
C8H18O
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Chemical Name:
3-Octanol
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Synonyms:
3-Octanol;Ethylamylcarbinol;n-Octan-3-ol;1-Ethyl-1-hexanol;(±)-3-Octanol;DL-3-Octanol;Octan-3-ol;20296-29-1
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CAS No:
Description
3-Octanol has a sweet, oily, nutty, warm, herbaceous odor. Clear colorless liquid 3-Octanol may occur in its optically active form. It is a colorless liquid that has a mushroomy–earthy odor and occurs in mushrooms. 3-Octanol can be obtained by hydrogenation of 3-octanone; it is used in lavender compositions and for impartingmushroom-like odors.
colourless liquid with a strong, oily-nutty, herbaceous odour
Octan-3-ol is an aliphatic alcohol that is octane substituted by a hydroxy group at position 3. It has a role as a metabolite. It is an aliphatic alcohol and an octanol.
Characteristics
20.2
2.8
Clear colorless Liquid
0.8279 g/cm3 @ Temp: 15 °C
-45 °C
171 °C
150 °F
1.426
soluble in alcohol, ether; insoluble in water
Store below +30°C.
~1 mm Hg ( 20 °C)
~4.5 (vs air)
LD50 orally in Rabbit: > 5000 mg/kg LD50 dermal Rabbit > 5000 mg/kg
Safety Information
NA 1993 / PGIII
2
36/37/38
26-36
RH0855000
Xi
P261-P305 + P351 + P338
H315-H319-H335
Not Classified| |Warning|H315 (98%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|Aggregated GHS information provided by 1549 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
3-Octanol Use and Manufacturing
From caprylic acid ester (such as methyl caprylate) and metal sodium in ethanol solution reduction derived.
3-Octanol is a liquid produced by hydrogenation of ethyl namyl ketone. It is used in fragrances and as an artificial flavoring in foods.
3-Octanol: ACTIVE
Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index|Fatty Acyls [FA] -> Fatty alcohols [FA05]
Flavoring Agents
Computed Properties
Molecular Weight:130.23
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:5
Exact Mass:130.135765193
Monoisotopic Mass:130.135765193
Topological Polar Surface Area:20.2
Heavy Atom Count:9
Complexity:52.5
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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