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CAS 50-78-2 Acetylsalicylic Acid molecular structure lightbox
CAS RN: 50-78-2

Acetylsalicylic Acid

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10 package records10 with current stock5 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250320 10ml In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260627 100g / 500g / 2.5kg / 10kg / 12X500g Confirm by inquiry Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260310 1ml In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260205 100g In stock Inquiry
Batchno.20250213 10kg In stock Inquiry
Batchno.20260523 2.5kg In stock Inquiry
Batchno.20251209 25g In stock Inquiry
Batchno.20251104 500g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250722 1kg In stock Inquiry
Batchno.20260408 250g In stock Inquiry
  • Product code: SSC-156277
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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: 25g, 100g, 500g
  • Available purity: ≥98%
  • Inventory rows with stock: 2
  • 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 50-78-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥98% 5 In Stock Beijing Inquiry
100g ≥98% 5 In Stock Shenzhen Inquiry
500g ≥98% 0 Out of Stock Shanghai Inquiry

50-78-2 / 2-acetyloxybenzoic acid

Standard CAS: 50-78-2 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
50-78-2
Multi CAS
No
Molecular Formula
C9H8O4
Molecular Weight
180.160000
Exact Mass
180.042259
SMILES
CC(=O)OC1=CC=CC=C1C(=O)O
InChI
InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)
InChIKey
BSYNRYMUTXBXSQ-UHFFFAOYSA-N

Physical Properties

Melting Point
275 °F (NTP, 1992) 138-140 135 °C (rapid heating) 135 °C 275 °F
Boiling Point
284 °F at 760 mmHg (decomposes) (NTP, 1992) 284 °F (decomposes) 284 °F (Decomposes)
Density
1.4 (NTP, 1992) - Denser than water; will sink 1.40 1.4 g/cm³ 1.35
Physical Description
Acetylsalicylic acid appears as odorless white crystals or crystalline powder with a slightly bitter taste. (NTP, 1992) Odorless, colorless to white, crystal-line powder. [aspirin] [Note: Develops the vinegar-like odor of acetic acid on contact with moisture.] Solid COLOURLESS-TO-WHITE CRYSTALS OR WHITE CRYSTALLINE POWDER WITH CHARACTERISTIC ODOUR. Odorless, colorless to white, crystal-line powder.
Appearance
Monoclinic tablets or needle-like crystals Colorless to white, crystalline powder.
State
Solid
Storage Conditions
STORAGE PRECAUTIONS: You should store this material under ambient temperatures and protect it from moisture. (NTP, 1992)

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
44.71
TPSA
63.6

LogP / Solubility

WLOGP
1.31
MLOGP
1.15
XLogP3
1.2
Consensus LogP
1.22
Log S (ESOL)
-1.99
Class (ESOL)
Soluble
Log S (Ali)
-1.98
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.16
Class (SILICOS-IT)
Moderately 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)
-2.89

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
1.5

Safety & Transport

Pictogram(s)
Irritant Health Hazard
Signal
Warning Danger
GHS Hazard Statements
H302 (95.6%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (20.6%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (22.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (20%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H334: May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 P233, P260, P271, P273, P284, P304+P340, P342+P316, P403, and P501 P203, P233, P260, P264, P264+P265, P270, P271, P280, P284, P301+P317, P304+P340, P305+P351+P338, P308+P316, P318, P319, P321, P330, P337+P317, P342+P316, P403, P405, and P501 P203, P233, P260, P264, P264+P265, P270, P271, P280, P284, P301+P317, P304+P340, P305+P351+P338, P308+P316, P318, P319, P330, P332+P317, P337+P317, P342+P316, P403, P405, and P501

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