2,4-Hexadien-1-ol 2,4-Hexadien-1-ol
Structural formula
| Business number | 0335 |
|---|---|
| Molecular formula | C6H10O |
| Molecular weight | 98.14 |
| label |
trans-2,4-hexadien-1-ol, 1-Hydroxy-2,4-hexadiene, (2E,4E)-2,4-Hexadien-1-ol, linear compound |
Numbering system
CAS number:111-28-4
MDL number:MFCD00002925
EINECS number:241-173-4
RTECS number:MM3325000
BRN number:None
PubChem ID:None
Physical property data
1. Hydrophobic parameters Calculate reference value (XlogP）：1.1
2. Hydrogen Bonding Number of donors: 1
3. Number of hydrogen bond acceptors:1
4. Rotatable Number of chemical bonds: 2
5. Interchange Number of isomers:
6. Topological molecules Polar surface area (TPSA）：20.2
7. Heavy atoms Quantity: 7
8. Surface charge ：0
9. Complexity ：72.2
10. Number of isotope atoms:0
11. Determine the number of atomic stereocenters:0
12. Uncertain number of atomic stereocenters:0
13. Determine the number of stereocenters of chemical bonds:2
14. Uncertain number of chemical bond stereocenters:0
15. Number of covalent bond units: 1
Toxicological data
1. Irritation: Rabbit skin standard Drez eye dye test: 20mg/24H Moderately irritating.
Rabbit eye standard Drez eye dye test: 750ug/24H Severe irritation.
2. Acute toxicity: Human Transdermal TDLO: 14mg/kg
Rat Sutra MouthLD5O：2140ul/kg
Rabbit transcutaneous LD5O：1010ul/kg
Rabbit subcutaneousLDLO: 5gm/kg
Ecological data
None
Molecular structure data
5. Molecular property data: 1. Molar refractive index: 31.49 2. Molar volume (m3/mol）：112.3 3. isotonic specific volume (90.2K):262.0 4. Surface Tension (dyne/cm):29.6 5. Polarizability（10-24cm3):12.48
Compute chemical data
None
Properties and stability
None
Storage method
None
Synthesis method
None
Purpose
None
EXT-ALIGN: left; mso-list: l0 level2 lfo1; tab-stops: list 36.0pt; mso-margin-top-alt: auto; mso-margin-bottom-alt: auto” align=left>3. Isotonic specific volume (90.2K ): 262.0
4. Surface Tension (dyne/cm):29.6
5. Polarizability（10-24cm3):12.48
Compute chemical data
None
Properties and stability
None
Storage method
None
Synthesis method
None
Purpose
None