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CAS 110-13-4 Acetonylacetone molecular structure lightbox
CAS RN: 110-13-4

Acetonylacetone

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250111 100ml In stock Shanghai, Shandong, Chongqing Inquiry
Batchno.20250413 2.5L In stock Shanghai Inquiry
Batchno.20250904 25ml In stock Shanghai, Shandong, Guangdong, Chongqing Inquiry
Batchno.20250608 500ml In stock Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250920 5ml In stock Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260225 5ml In stock Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
  • Product code: SSC-011238
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 5g, 10g, 25g, 100g, 1000g, 500g
  • Available purity: >98%
  • Inventory rows with stock: 6
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 110-13-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >98% 5 In Stock Shanghai Inquiry
10g >98% 5 In Stock Beijing Inquiry
25g >98% 5 In Stock Shenzhen Inquiry
100g >98% 5 In Stock Hong Kong Inquiry
1000g >98% 5 In Stock Shanghai Inquiry
500g >98% 3 In Stock Shenzhen Inquiry

110-13-4 / hexane-2,5-dione

2,5-HEXANEDIONE | Hexane-2,5-dione | Acetonylacetone

Standard CAS: 110-13-4 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
110-13-4
Multi CAS
No
Molecular Formula
C6H10O2
Molecular Weight
114.140000
Exact Mass
114.068080
SMILES
CC(=O)CCC(=O)C
InChI
InChI=1S/C6H10O2/c1-5(7)3-4-6(2)8/h3-4H2,1-2H3
InChIKey
OJVAMHKKJGICOG-UHFFFAOYSA-N
Synonyms
2,5-HEXANEDIONE Hexane-2,5-dione Acetonylacetone 1,2-Diacetylethane 2,5-Diketohexane

Physical Properties

Melting Point
22.1 °F (NTP, 1992)
Boiling Point
376 °F at 760 mmHg (NTP, 1992)
Density
0.9737 at 68 °F (NTP, 1992) - Less dense than water; will float
Physical Description
2,5-hexanedione is a clear colorless to amber liquid with a sweet aromatic odor. (NTP, 1992) Liquid that slowly turns yellow; [Merck Index] Colorless to amber liquid with a sweet odor; [CAMEO] Yellow liquid
State
Liquid
Storage Conditions
STORAGE PRECAUTIONS: You should store this material under ambient temperatures. (NTP, 1992)

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.67
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
30.6
TPSA
34.14

LogP / Solubility

WLOGP
0.94
MLOGP
0.82
XLogP3
-0.3
Consensus LogP
0.49
Log S (ESOL)
-0.94
Class (ESOL)
Very soluble
Log S (Ali)
-1.18
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.55
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)
-2.75

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)
Irritant Health Hazard
Signal
Warning Danger
GHS Hazard Statements
H315 (97.9%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (99.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H373 (97.2%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure] H227: Combustible liquid [Warning Flammable liquids] H302: Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P260, P264, P264+P265, P280, P302+P352, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, and P501 P210, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P304+P340, P305+P351+P338, P319, P330, P337+P317, P370+P378, P403, P403+P233, P405, and P501

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