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Molecule
Erythritol
CAS: 149-32-6 · C4H10O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 149-32-6
- Molecular Formula
- C4H10O4
- Molecular Mass
- 122.12 g/mol
Identifiers
CAS Registry Number
149-32-6
SMILES
OC[C@@H](O)[C@@H](O)CO
InChI Key
UNXHWFMMPAWVPI-ZXZARUISNA-N
InChI
InChI=1/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2/t3-,4+
Names and Synonyms
- Erythritol Synonym
- 1,2,3,4-Butanetetrol, (2R,3S)-rel- Synonym
- Erythritol Synonym
- 1,2,3,4-Butanetetrol, (R*,S*)- Synonym
- rel-(2R,3S)-1,2,3,4-Butanetetrol Synonym
- Erythrol Synonym
- Phycitol Synonym
- Mesoerythritol Synonym
- meso-Erythritol Synonym
- Erythrit Synonym
- NIK 242 Synonym
- C*Eridex Synonym
- NSC 8099 Synonym
- C* Eridex 16954 Synonym
- Erythritol 100M Synonym
- F 8015 Synonym
- Lakanto-S Synonym
- Cargill Zerose 16957 Synonym
- Zerose 01657 Synonym
- Zerose Synonym
- (2R,3S)-Butane-1,2,3,4-tetraol Synonym
- Eridex F 16960 Synonym
- Zerose Tm 16957 Synonym
- Zerose 16952 Synonym
- Erythritol T Synonym
- Erythritol 50M Synonym
- (2R,3S)-rel-Butane-1,2,3,4-tetraol Synonym
- Lakanto Sweet Powder Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 122.12 g/mol | CAS Common Chemistry |
| 122.11999999999999 g/mol | RDKit | |
| Density | 1.44 g/cm³ | CAS Common Chemistry |
| 1.44 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Erythritol | CAS Common Chemistry |
| Boiling Point | 330.5 °C | CAS Common Chemistry |
| Canonical SMILES | OCC(O)C(O)CO | CAS Common Chemistry |
| InChI | InChI=1/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2/t3-,4+ | CAS Common Chemistry |
| InChI Key | InChIKey=UNXHWFMMPAWVPI-ZXZARUISNA-N | CAS Common Chemistry |
| Melting Point | 121.5 °C | CAS Common Chemistry |
| Name | Erythritol | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 80.92 Ų | RDKit |
| LogP | -2.3071999999999995 | RDKit |
| -2.3072 | RDKit | |
| Molar Refractivity | 26.18519999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 122.0579088 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 122.12 g/mol; density = 1.440 g/mL. Edit any field — others recompute live.
