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Benzoin (Organic Compound)
CAS: 119-53-9 | C14H12O2
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
119-53-9
Molecular Formula:
C14H12O2
Molecular Mass:
212.25 g/mol
Names and Synonyms:
Benzoin (Organic Compound)
Ethanone, 2-hydroxy-1,2-diphenyl-
Benzoin
2-Hydroxy-1,2-diphenylethanone
Benzoylphenylcarbinol
α-Hydroxy-α-phenylacetophenone
2-Hydroxy-2-phenylacetophenone
α-Hydroxybenzyl phenyl ketone
2-Hydroxy-1,2-diphenyl-1-ethanone
Wy 42956
Desyl alcohol
1,2-Diphenyl-1-hydroxy-2-ethanone
dl-Benzoin
(±)-Benzoin
DL-Benzoin
(±)-2-Hydroxy-1,2-diphenylethanone
(±)-2-Hydroxy-2-phenylacetophenone
(RS)-Benzoin
Nisso Cure MB
NSC 8082
1,2-Diphenyl-2-hydroxyethanone
1,2-Diphenyl-2-oxoethanol
α-Benzoylbenzenemethanol
S 19
S 19 (benzoin)
Esacure EB 3
2-Hydroxy-1-phenyl-2-phenylethanone
Seikuol Z
2-Hydroxyl-1,2-phenylethanone
2-Phenyl-2-hydroxyacetophenone
F 297
Jiqi GK 19
GK 19
L 307
LC Benzoin
AW 63
AHA 4100
ZR-A 401
KV 203
Identifiers:
SMILES:
O=C(c1ccccc1)C(O)c1ccccc1
InChI:
InChI=1S/C14H12O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13,15H
Key Properties
Boiling Point
344 °C @ Press: 760.0 Torr
CAS Common Chemistry
Melting Point
137 °C
CAS Common Chemistry
Density
1.31 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 212.25 g/mol | CAS Common Chemistry |
| 212.248 g/mol | RDKit | |
| 212.083729624 g/mol | RDKit | |
| Density | 1.31 g/cm³ | CAS Common Chemistry |
| 1.310 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Benzoin_(organic_compound) | CAS Common Chemistry |
| Boiling Point | 344 °C @ Press: 760.0 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(C=1C=CC=CC1)C(O)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C14H12O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13,15H | CAS Common Chemistry |
| InChI Key | InChIKey=ISAOCJYIOMOJEB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 137 °C | CAS Common Chemistry |
| Name | (±)-Benzoin | CAS Common Chemistry |
| Benzoin (organic compound) | CAS Common Chemistry | |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 37.3 Ų | RDKit |
| LogP | 2.602900000000001 | RDKit |
| Molar Refractivity | 62.17430000000003 | RDKit |
