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CAS 1123-85-9 2-Phenyl-1-propanol molecular structure lightbox
CAS RN: 1123-85-9

2-Phenyl-1-propanol

Product Availability

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4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250527 5ml / 25ml / 100ml Confirm by inquiry Shanghai, Shandong, Hebei Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250304 100ml In stock Inquiry
Batchno.20260408 25ml In stock Inquiry
Batchno.20250907 5ml In stock Inquiry
  • Product code: SSC-012753
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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: 100g
  • Available purity: ＞97%
  • 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 1123-85-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ＞97% 0 Out of Stock Shenzhen Inquiry

1123-85-9 / 2-phenylpropan-1-ol

2-Phenylpropan-1-ol | 2-Phenyl-1-propanol | Hydratropic alcohol

Standard CAS: 1123-85-9 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
1123-85-9
Multi CAS
Yes
Molecular Formula
C9H12O
Molecular Weight
136.190000
Exact Mass
136.088815
SMILES
CC(CO)C1=CC=CC=C1
InChI
InChI=1S/C9H12O/c1-8(7-10)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3
InChIKey
RNDNSYIPLPAXAZ-UHFFFAOYSA-N
Synonyms
2-Phenylpropan-1-ol 2-Phenyl-1-propanol Hydratropic alcohol beta-Methylphenethyl alcohol Hydratropyl alcohol

Physical Properties

Boiling Point
113.00 to 114.00 °C. @ 14.00 mm Hg
Density
0.971-0.978
Physical Description
Liquid Colorless liquid; Colourless liquid; Sweet floral lilac, hyacinth type aroma
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
41.94
TPSA
20.23

LogP / Solubility

WLOGP
1.78
MLOGP
1.56
XLogP3
2.4
Consensus LogP
1.91
Log S (ESOL)
-2.12
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.96
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.26
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)
-2.29

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

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 268 of 288 companies (only 6.9% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

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