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Butyl levulinate

Butyl levulinate structure

CAS No:
2052-15-5
Formula:
C9H16O3
Chemical Name:
Butyl levulinate
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
Categories:
Cosmetic Ingredient > Perfuming

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

Molecular Weight：

172.22200

Exact Mass：

172.22

EC Number：

218-143-4

UNII：

OI56208RTB

NSC Number：

78451

DSSTox ID：

DTXSID3038800

HScode：

2918300090

Characteristics

PSA：

43.37000

XLogP3：

Appearance：

Liquid

Density：

0.97452 g/cm³ @ Temp: 20 °C

Boiling Point：

237.5 °C

Flash Point：

91ºC

Refractive Index：

1.427-1.429

Water Solubility：

Slightly soluble in water.

Storage Conditions：

Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool

Vapor Pressure：

0.0382mmHg at 25°C

Safety Information

Packing level：

I; II; III

Hazard category：

6.1

wgk germany：

safety instructions：

S24/25

RTECS Number：

OI1695000

Marks：

Stability/Shelf Life：

Stable at room temperature in closed containers under normal storage and handling conditions.

GHS Classification：

|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

Uses

Spices for food.

Processing aids, not otherwise listed

Manufacturing Info：

Miscellaneous manufacturing|Pentanoic acid, 4-oxo-, butyl ester: ACTIVE

Use Classification：

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

Food Additive Classes：

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

Material

Butyl acrylate

Formic acid

1-Butanol

Acetaldehyde

Furfuryl alcohol

Downstream Products

1-Butanol

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Guide of Butyl levulinate

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Material
Downstream Products
Recommended Suppliers
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Butyl levulinate

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