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CAS 1188-02-9 2-Methylheptanoic Acid molecular structure lightbox
CAS RN: 1188-02-9

2-Methylheptanoic Acid

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250210 100g In stock Shanghai, Tianjin Inquiry
Batchno.20250523 25g In stock Shanghai, Tianjin Inquiry
Batchno.20260303 500g In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250714 5g In stock Shanghai, Tianjin Inquiry
Batchno.20250718 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Hebei Inquiry
  • Product code: SSC-018898
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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: 5g
  • Available purity: ≥95%
  • 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 1188-02-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

1188-02-9 / 2-methylheptanoic acid

2-METHYLHEPTANOIC ACID | 2-Methylenanthic acid | Heptanoic acid, 2-methyl-

Standard CAS: 1188-02-9 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
1188-02-9
Multi CAS
No
Molecular Formula
C8H16O2
Molecular Weight
144.210000
Exact Mass
144.115030
SMILES
CCCCCC(C)C(=O)O
InChI
InChI=1S/C8H16O2/c1-3-4-5-6-7(2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
InChIKey
NKBWMBRPILTCRD-UHFFFAOYSA-N
Synonyms
2-METHYLHEPTANOIC ACID 2-Methylenanthic acid Heptanoic acid, 2-methyl- alpha-Methylheptanoic acid FEMA No. 2706

Physical Properties

Melting Point
15.00 °C. @ 760.00 mm Hg
Boiling Point
140.00 °C. @ 30.00 mm Hg
Density
0.899-0.905
Physical Description
colourless oily liquid, solidifies in the cold to colourless or white scaly crystals; fatty, sour, rancid-like aroma
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.88
Rotatable bonds
5
H-bond acceptors
1
H-bond donors
1
Molar refractivity
40.94
TPSA
37.3

LogP / Solubility

WLOGP
2.29
MLOGP
2.01
XLogP3
2.9
Consensus LogP
2.4
Log S (ESOL)
-1.85
Class (ESOL)
Soluble
Log S (Ali)
-2.39
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.1
Class (SILICOS-IT)
Poorly 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)
-1.98

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (94.4%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (91.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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