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CAS 122-03-2 Cuminaldehyde molecular structure lightbox
CAS RN: 122-03-2

Cuminaldehyde

Product Availability

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9 package records9 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260604 100g In stock Inquiry
Batchno.20250304 2.5kg In stock Inquiry
Batchno.20250102 25g In stock Inquiry
Batchno.20250520 500g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251112 1ml In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250322 100g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250414 1kg In stock Shanghai Inquiry
Batchno.20250319 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250131 500g In stock Shanghai Inquiry
  • Product code: SSC-024876
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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, 1000g
  • Available purity: >95%
  • Inventory rows with stock: 3
  • 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 122-03-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g >95% 5 In Stock Hong Kong Inquiry
100g >95% 5 In Stock Shenzhen Inquiry
500g >95% 1 In Stock Hong Kong Inquiry
1000g >95% 0 Out of Stock Shanghai Inquiry

122-03-2 / 4-propan-2-ylbenzaldehyde

Standard CAS: 122-03-2 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
122-03-2
Multi CAS
No
Molecular Formula
C10H12O
Molecular Weight
148.200000
Exact Mass
148.088815
SMILES
CC(C)C1=CC=C(C=C1)C=O
InChI
InChI=1S/C10H12O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-8H,1-2H3
InChIKey
WTWBUQJHJGUZCY-UHFFFAOYSA-N

Physical Properties

Boiling Point
235.5 °C
Density
0.973-0.981
Physical Description
Liquid Colorless to yellowish liquid with a strong odor; [Merck Index] Colorless liquid; colourless to pale yellow liquid with a strong, pungent, spicy, green, herbaceous odour
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
45.92
TPSA
17.07

LogP / Solubility

WLOGP
2.62
MLOGP
2.3
XLogP3
2.7
Consensus LogP
2.54
Log S (ESOL)
-2.68
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.67
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.04
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)
-1.76

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
Signal
Warning
GHS Hazard Statements
H302 (99.9%): Harmful if swallowed [Warning Acute toxicity, oral] H317 (13.8%): May cause an allergic skin reaction [Warning Sensitization, Skin] H302: Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501 P264, P270, P301+P317, P330, and P501

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