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CAS 1686-14-2 α-Pinene Oxide molecular structure lightbox
CAS RN: 1686-14-2

α-Pinene Oxide

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260122 100g In stock Shanghai Inquiry
Batchno.20260409 1g In stock Shanghai Inquiry
Batchno.20260611 25g In stock Shanghai Inquiry
Batchno.20260614 5g In stock Shanghai Inquiry
  • Product code: ICTP1362
  • Purity/Analytical Methods: >95.0%(GC)
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1686-14-2 / 2,7,7-trimethyl-3-oxatricyclo[4.1.1.02,4]octane

Standard CAS: 1686-14-2 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
1686-14-2
Multi CAS
No
Molecular Formula
C10H16O
Molecular Weight
152.230000
Exact Mass
152.120115
SMILES
CC1(C2CC1C3(C(C2)O3)C)C
InChI
InChI=1S/C10H16O/c1-9(2)6-4-7(9)10(3)8(5-6)11-10/h6-8H,4-5H2,1-3H3
InChIKey
NQFUSWIGRKFAHK-UHFFFAOYSA-N

Physical Properties

Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
H-bond acceptors
1
Molar refractivity
43.27
TPSA
12.53

LogP / Solubility

WLOGP
2.21
MLOGP
1.94
XLogP3
2.1
Consensus LogP
2.08
Log S (ESOL)
-2.18
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.4
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.48
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)
-2.08

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
6

Safety & Transport

Pictogram(s)
Irritant Flammable Acute Toxic
Signal
Warning Danger
GHS Hazard Statements
H302 (91.7%): Harmful if swallowed [Warning Acute toxicity, oral] H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] H331 (100%): Toxic if inhaled [Danger Acute toxicity, inhalation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501 P210, P233, P240, P241, P242, P243, P261, P271, P280, P303+P361+P353, P304+P340, P316, P319, P321, P370+P378, P403+P233, P403+P235, P405, and P501

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