Butyl levulinate
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Butyl levulinate
structure -
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CAS No:
2052-15-5
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Formula:
C9H16O3
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Chemical Name:
Butyl levulinate
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Synonyms:
Pentanoic acid,4-oxo-,butyl ester;Levulinic acid,butyl ester;Butyl levulinate;n-Butyl levulinate;4-Ketopentanoic acid butyl ester;Butyl 4-oxopentanoate;NSC 78451
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CAS No:
Description
CLEAR YELLOW TO ORANGE-BROWN LIQUID Butyl levulinate has a sweet and slightly pungent caramellic odor with fruity undertones; mild sweet caramellicherbaceous taste; bitter taste.
Liquid|colourless or straw-colored liquid; sweet and slightly pungent caramellic odour with fruity undertones; mild sweet caramellic-herbaceous taste; bitter taste
Butyl levulinate is an oxo carboxylic acid.
Butyl levulinate Basic Attributes
172.22200
172.22
218-143-4
OI56208RTB
78451
DTXSID3038800
2918300090
Characteristics
43.37000
1
Liquid
0.97452 g/cm3 @ Temp: 20 °C
237.5 °C
91ºC
1.427-1.429
Slightly soluble in water.
Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool
0.0382mmHg at 25°C
Safety Information
I; II; III
6.1
2
S24/25
OI1695000
Xi
Stable at room temperature in closed containers under normal storage and handling conditions.
|Warning|H315 (100%): 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 183 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Butyl levulinate Use and Manufacturing
Spices for food.
Processing aids, not otherwise listed
Miscellaneous manufacturing|Pentanoic acid, 4-oxo-, butyl ester: ACTIVE
EPA Safer Chemical Functional Use Classes -> Solvents|Safer Chemical Classes -> Green half-circle - The chemical is expected to be of low concern|Food additives -> Flavoring Agents
Flavoring Agents
Computed Properties
Molecular Weight:172.22
XLogP3:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:7
Exact Mass:172.109944368
Monoisotopic Mass:172.109944368
Topological Polar Surface Area:43.4
Heavy Atom Count:12
Complexity:152
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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