China (Mainland)
1,6-Hexanediol CAS NO.629-11-8
- Min.Order: 10 Gram
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- Product Details
Keywords
- 1,6-Hexanediol buy
Quick Details
- ProName: 1,6-Hexanediol
- CasNo: 629-11-8
- Molecular Formula: C6H14O2
- Application: pesticide
- DeliveryTime: Please contact us directly to check it
- PackAge: Can be packaged in accordance with cus...
- ProductionCapacity: Metric Ton/Day
- Purity: 99.5%
- Storage: Store in a cool, dry place. Store in a...
- Transportation: By air or By sea or By express
- LimitNum: 10 Gram
Superiority
1.Introduction of 629-11-8
1,6-Hexanediol has the CAS registry number of 629-11-8. Its IUPAC name is hexane-1,6-diol. It belongs to product c
Details
1.Introduction of 629-11-8
1,6-Hexanediol has the CAS registry number of 629-11-8. Its IUPAC name is hexane-1,6-diol. It belongs to product categories of industrial/fine chemicals, alpha,omega-alkanediols, alpha, omega-bifunctional alkanes, monofunctional & alpha,omega-bifunctional alkanes, optimization reagents, protein structural analysis, x-ray crystallography, amine series, building blocks, chemical synthesis, organic building blocks, oxygen compounds, polyols.
2.Properties of 629-11-8
ACD/LogP: -0.068
# of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): -0.07
ACD/LogD (pH 7.4): -0.07
ACD/BCF (pH 5.5): 1.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 5.5): 21.89
ACD/KOC (pH 7.4): 21.89
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 7
Polar Surface Area: 40.46?2
Index of Refraction: 1.449
Molar Refractivity: 32.916 cm3
Molar Volume: 122.588 cm3
Polarizability: 13.049 10-24cm3
Surface Tension: 37.9799995422363 dyne/cm
Density: 0.964 g/cm3
Flash Point: 101.667 °C
Enthalpy of Vaporization: 55.386 kJ/mol
Boiling Point: 239.673 °C at 760 mmHg
Vapour Pressure: 0.00700000021606684 mmHg at 25°C
3.Structure Descriptors of 629-11-8
(1)InChI: InChI=1S/C6H14O2/c7-5-3-1-2-4-6-8/h7-8H,1-6H2
(2)InChIKey: XXMIOPMDWAUFGU-UHFFFAOYSA-N
(3)Canonical SMILES : C(CCCO)CCO
4.Safety Information of 629-11-8
Risk Statements: 36/37/38
Safety Statements: 36/37-24/25-23
WGK Germany: 1
RTECS: MO2100000
HS Code: 29053980
Hazardous Substances Data: 629-11-8(Hazardous Substances Data)
5.Toxity of 629-11-8
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 1738mg/kg (1738mg/kg) | Toxicology and Applied Pharmacology. Vol. 49, Pg. 385, 1979. | |
| rabbit | LD50 | skin | > 10gm/kg (10000mg/kg) | Toxicology and Applied Pharmacology. Vol. 28, Pg. 313, 1974. | |
| rat | LD50 | oral | 3730mg/kg (3730mg/kg) | Toxicology and Applied Pharmacology. Vol. 28, Pg. 313, 1974. |
6.Manufacturing of 629-11-8
(1)1,6-Hexanediol is produced industrially by the catalytic hydrogenation of adipic acid or of its esters. Mixtures of dicarboxylic acids and hydroxycarboxylic acids with C6 components formed in other processes (e.g., in cyclohexane oxidation) also can be used.
(2)Reduction of adipic acid ester with copper chromite catalyst.
(3)Reduction of ethyl adipate with copper chromite