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About This Item
Empirical Formula (Hill Notation):
C9H12O
CAS Number:
Molecular Weight:
136.19
PubChem Substance ID:
UNSPSC Code:
12352002
Beilstein/REAXYS Number:
3195620
MDL number:
Assay:
≥97.0% (sum of enantiomers, GC)
Form:
liquid
SMILES string
C[C@@H](O)Cc1ccccc1
InChI
1S/C9H12O/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3/t8-/m1/s1
InChI key
WYTRYIUQUDTGSX-MRVPVSSYSA-N
assay
≥97.0% (sum of enantiomers, GC)
form
liquid
optical activity
[α]20/D −41±1°, c = 5.3% in benzene
optical purity
enantiomeric ratio: ≥99:1 (GC)
refractive index
n20/D 1.521
bp
95-97 °C/11 mmHg (lit.)
density
0.993 g/mL at 20 °C (lit.)
Other Notes
Chiral alcohol; it can be transformed to the chloride (SOCl2/pyridine) with inversion of configuration. The chloride undergoes AlCl3-catalyzed retentive Friedel-Crafts alkylation of benzene
Storage Class
10 - Combustible liquids
wgk
WGK 3
flash_point_f
185.0 °F - closed cup
flash_point_c
85 °C - closed cup
ppe
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
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S. Masuda et al.
Bulletin of the Chemical Society of Japan, 56, 1089-1089 (1983)
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