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CAS 7785-53-7 (+)-ALPHA-TERPINEOL molecular structure lightbox
CAS RN: 7785-53-7

(+)-ALPHA-TERPINEOL

  • Product code: SSC-187382
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 7785-53-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

7785-53-7 / 2-(4-methylcyclohex-3-en-1-yl)propan-2-ol

Standard CAS: 7785-53-7 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
7785-53-7
Multi CAS
Yes
Molecular Formula
C10H18O
Molecular Weight
154.250000
Exact Mass
154.135765
InChI
InChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3/t9-/m0/s1
InChIKey
WUOACPNHFRMFPN-VIFPVBQESA-N

Physical Properties

Melting Point
35-40 °C Viscous at room temperature; mp: 40-41 °C /d-isomer/; congealing point: +2 °C
Boiling Point
218-221 °C
Density
0.935 at 20 °C/20 °C 0.930-0.936
Physical Description
Liquid; Liquid, Other Solid Liquid White solid with an odor of lilac; [HSDB] Some forms are liquid; [Merck Index] White low melting solid; mp = 31-32 deg C; Liquid; colourless, viscous liquid with a lilac-like odour
Appearance
Colorless solid Pure alpha-isomer is white, crystalline powder
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
47.4
TPSA
20.23

LogP / Solubility

WLOGP
2.5
MLOGP
2.2
XLogP3
1.8
Consensus LogP
2.17
Log S (ESOL)
-2.31
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.63
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.86
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)
-1.88

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
2

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