[email protected]
CAS 10097-02-6 2,2-Bis(hydroxymethyl)butyric Acid molecular structure lightbox
CAS RN: 10097-02-6

2,2-Bis(hydroxymethyl)butyric Acid

Product Availability

Choose a grade to view its available package options.

9 package records8 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251112 100g In stock Inquiry
Batchno.20260305 2.5kg In stock Inquiry
Batchno.20250503 25g In stock Inquiry
Batchno.20250408 500g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250701 100g In stock Shanghai Inquiry
Batchno.20250119 1kg In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20250103 25g In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20260123 500g Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250930 25g In stock Shanghai Inquiry
  • Product code: SSC-001765
GET A QUOTE
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: 500g
  • Available purity: ≥97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 10097-02-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
500g ≥97% 0 Out of Stock Shenzhen Inquiry

10097-02-6 / 2,2-bis(hydroxymethyl)butanoic acid

2,2-bis(hydroxymethyl)butanoic acid | Butanoic acid, 2,2-bis(hydroxymethyl)- | 2,2-Dimethylolbutyric Acid

Standard CAS: 10097-02-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
10097-02-6
Multi CAS
No
Molecular Formula
C6H12O4
Molecular Weight
148.160000
Exact Mass
148.073559
SMILES
CCC(CO)(CO)C(=O)O
InChI
InChI=1S/C6H12O4/c1-2-6(3-7,4-8)5(9)10/h7-8H,2-4H2,1H3,(H,9,10)
InChIKey
JVYDLYGCSIHCMR-UHFFFAOYSA-N
Synonyms
2,2-bis(hydroxymethyl)butanoic acid Butanoic acid, 2,2-bis(hydroxymethyl)- 2,2-Dimethylolbutyric Acid dimethylolbutyric acid 2,2-dimethylolbutanoic acid

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.83
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
3
Molar refractivity
34.53
TPSA
77.76

LogP / Solubility

WLOGP
-0.55
MLOGP
-0.49
XLogP3
-0.9
Consensus LogP
-0.65
Log S (ESOL)
-0.15
Class (ESOL)
Very soluble
Log S (Ali)
-0.38
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.65
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-4.01

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H318: Causes serious eye damage [Danger Serious eye damage/eye irritation] H412: Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard] H412 (98.3%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P264+P265, P273, P280, P305+P354+P338, P317, and P501

Customers Also Viewed

Get In Touch

Contact Us