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CAS 116-53-0 DL-2-Methylbutyric Acid molecular structure lightbox
CAS RN: 116-53-0

DL-2-Methylbutyric Acid

Product Availability

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4 package records3 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250520 25ml / 100ml / 500ml / 2.5L Confirm by inquiry Shanghai, Shandong, Chongqing, Hebei Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260602 1kg Out of stock 8-10 business days Inquiry
Batchno.20260331 250g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260109 5g In stock Shanghai, Guangdong Inquiry
  • Product code: SSC-016025
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 100ml
  • Available purity: ≥98%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 116-53-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
100ml ≥98% 0 Out of Stock Beijing Inquiry

116-53-0 / 2-methylbutanoic acid

2-Methylbutanoic acid | 2-METHYLBUTYRIC ACID | DL-2-Methylbutyric acid

Standard CAS: 116-53-0 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
116-53-0
Multi CAS
Yes
Molecular Formula
C5H10O2
Molecular Weight
102.130000
Exact Mass
102.068080
SMILES
CCC(C)C(=O)O
InChI
InChI=1S/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7)
InChIKey
WLAMNBDJUVNPJU-UHFFFAOYSA-N
Synonyms
2-Methylbutanoic acid 2-METHYLBUTYRIC ACID DL-2-Methylbutyric acid Butanoic acid, 2-methyl- Ethylmethylacetic acid

Physical Properties

Boiling Point
176.00 to 177.00 °C. @ 760.00 mm Hg
Density
0.932-0.936
Physical Description
Liquid Solid colourless to pale yellow liquid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.8
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
27.09
TPSA
37.3

LogP / Solubility

WLOGP
1.12
MLOGP
0.97
XLogP3
1.2
Consensus LogP
1.1
Log S (ESOL)
-1.04
Class (ESOL)
Soluble
Log S (Ali)
-1.2
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.49
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.55

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (99.8%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (99.8%): Harmful in contact with skin [Warning Acute toxicity, dermal] H314 (> 99.9%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H318 (83.6%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H290 (100%): May be corrosive to metals [Warning Corrosive to Metals]
Precautionary Statement Codes
P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501 P234, P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P390, P405, P406, and P501

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