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CAS 1506-02-1 6-ACETYL-1,1,2,4,4,7-HEXAMETHYLTETRALIN molecular structure lightbox
CAS RN: 1506-02-1

6-ACETYL-1,1,2,4,4,7-HEXAMETHYLTETRALIN

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6 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250918 1kg In stock Inquiry
Batchno.20250819 250g Out of stock Inquiry
Batchno.20251217 50g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260422 100g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250210 25g In stock Shanghai, Shenzhen Inquiry
Batchno.20251121 500g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: starshine_CAS1506-02-1
  • Purity/Analytical Methods: >99.0%
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1506-02-1 / 1-(3,5,5,6,8,8-hexamethyl-6,7-dihydronaphthalen-2-yl)ethanone

Standard CAS: 1506-02-1 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
1506-02-1
Multi CAS
No
Molecular Formula
C18H26O
Molecular Weight
258.400000
Exact Mass
258.198365
SMILES
CC1CC(C2=C(C1(C)C)C=C(C(=C2)C(=O)C)C)(C)C
InChI
InChI=1S/C18H26O/c1-11-8-16-15(9-14(11)13(3)19)17(4,5)10-12(2)18(16,6)7/h8-9,12H,10H2,1-7H3
InChIKey
DNRJTBAOUJJKDY-UHFFFAOYSA-N

Physical Properties

Melting Point
54.5 °C
Boiling Point
The boiling temperature at atmospheric pressure is 326 +/- 4 °C.
Density
The relative density will be between the bulk density and its density in molten form: 600 < D < 960 kg/cu m
Physical Description
Liquid; Other Solid Solid with an odor of musk; [HSDB]
Appearance
White to off-white crystalline solid Solid
State
Solid
Storage Conditions
Keep container tightly closed in a dry and well-ventilated place. Storage class (TRGS 510): Non Combustible Solids.

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.61
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
81.02
TPSA
17.07

LogP / Solubility

WLOGP
4.79
MLOGP
4.22
XLogP3
5.3
Consensus LogP
4.77
Log S (ESOL)
-4.63
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.14
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.44
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.89

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant Environmental Hazard Health Hazard
Signal
Warning
GHS Hazard Statements
H302 (97.7%): Harmful if swallowed [Warning Acute toxicity, oral] H400 (90.7%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410 (97.9%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard] H302 (98.5%): Harmful if swallowed [Warning Acute toxicity, oral] H400 (67.6%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Precautionary Statement Codes
P264, P270, P273, P301+P317, P330, P391, and P501 P260, P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P319, P330, P337+P317, P391, and P501 P264, P270, P301+P317, P330, and P501

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