Cas no 103404-57-5 (heptane-1,2,3-triol)
heptane-1,2,3-triol structure
Product Name:heptane-1,2,3-triol
CAS No:103404-57-5
MF:C7H16O3
MW:148.200142860413
MDL:MFCD00010517
CID:157050
PubChem ID:124604
Update Time:2025-07-31
heptane-1,2,3-triol Chemical and Physical Properties
Names and Identifiers
-
- 1,2,3-Heptanetriol
- 1,2,3-Heptanetriol,high melting isomer
- BUTYLGLYCEROL
- heptane-1,2,3-triol
- 1,2,3-Trihydroxyheptane
- 1,2,3-Heptanetriol Isomer
- 1,2,3-HEPTANETRIOL ISOMER H
- 1,2,3-HEPTANETRIOL ISOMER T
- 1,2,3-Heptanetriol,95%
- 1,2,3-Heptanetriol{~98%}
- 1,2,3-HEPTANETRIOL, HIGH MELTING ISOMER
- 1,2,3-Heptanetriol Isomer T 1 M solution
- AKOS015913564
- LMFA05000665
- SCHEMBL177886
- DTXSID40908359
- 1-n-butylglycerol
- EN300-258475
- CHEBI:67095
- FT-0642529
- 103404-57-5
- 1-butylglycerol
- 1,2,3-Heptanetriol, high melting isomer, >=98.0% (GC)
- 1,2,3Trihydroxyheptane
- HXYCHJFUBNTKQR-UHFFFAOYSA-N
- DTXCID501337441
- Heptane1,2,3triol
- DB-040450
-
- MDL： MFCD00010517
- Inchi： 1S/C7H16O3/c1-2-3-4-6(9)7(10)5-8/h6-10H,2-5H2,1H3
- InChI Key： HXYCHJFUBNTKQR-UHFFFAOYSA-N
- SMILES： OC(C(CO)O)CCCC
Computed Properties
- Exact Mass: 148.11000
- Monoisotopic Mass: 148.11
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 5
- Complexity: 75.3
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 60.7A^2
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 0.1
Experimental Properties
- Color/Form: Not available
- Density: 1.01?g/mL?at 20?°C
- Melting Point: 52-55?°C(lit.)
- Boiling Point: 208.81°C (rough estimate)
- Flash Point: 151.2±16.9 °C
- Refractive Index: 1.4850 (estimate)
- PSA: 60.69000
- LogP: -0.10930
- Vapor Pressure: 0.0±1.5 mmHg at 25°C
- Solubility: Not available
heptane-1,2,3-triol Security Information
- Signal Word：warning
- Hazard Statement： H303+H313+H333
- Warning Statement： P264+P280+P305+P351+P338+P337+P313
- WGK Germany：3
- Hazard Category Code： 36/37/38
- Safety Instruction： S22
- FLUKA BRAND F CODES：3-10
-
Hazardous Material Identification：
- Storage Condition：storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
- Safety Term：S22-24/25
- Risk Phrases：R36/37/38
heptane-1,2,3-triol Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | SA03065-1ml |
1,2,3-Heptanetriol |
103404-57-5 | 1ml |
￥708.0 | 2021-09-04 | ||
| Chemenu | CM554589-100mg |
1,2,3-Heptanetriol |
103404-57-5 | 97% | 100mg |
$61 | 2023-02-03 | |
| Enamine | EN300-258475-0.05g |
heptane-1,2,3-triol |
103404-57-5 | 95% | 0.05g |
$23.0 | 2024-06-18 | |
| Enamine | EN300-258475-0.1g |
heptane-1,2,3-triol |
103404-57-5 | 95% | 0.1g |
$35.0 | 2024-06-18 | |
| Enamine | EN300-258475-0.25g |
heptane-1,2,3-triol |
103404-57-5 | 95% | 0.25g |
$49.0 | 2024-06-18 | |
| Enamine | EN300-258475-0.5g |
heptane-1,2,3-triol |
103404-57-5 | 95% | 0.5g |
$78.0 | 2024-06-18 | |
| Enamine | EN300-258475-1.0g |
heptane-1,2,3-triol |
103404-57-5 | 95% | 1.0g |
$100.0 | 2024-06-18 | |
| Enamine | EN300-258475-2.5g |
heptane-1,2,3-triol |
103404-57-5 | 95% | 2.5g |
$210.0 | 2024-06-18 | |
| Enamine | EN300-258475-5.0g |
heptane-1,2,3-triol |
103404-57-5 | 95% | 5.0g |
$415.0 | 2024-06-18 | |
| Enamine | EN300-258475-10.0g |
heptane-1,2,3-triol |
103404-57-5 | 95% | 10.0g |
$808.0 | 2024-06-18 |
heptane-1,2,3-triol Related Literature
-
Jiali Zhai,Sampa Sarkar,Charlotte E. Conn,Calum J. Drummond Mol. Syst. Des. Eng. 2020 5 1354
-
Adrian Bothe,Athina Zouni,Frank Müh RSC Adv. 2023 13 9387
-
3. SlipChipWenbin Du,Liang Li,Kevin P. Nichols,Rustem F. Ismagilov Lab Chip 2009 9 2286
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