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Cas Database |
| Name |
3-Methyl-1-penten-3-ol |
EINECS | N/A |
| CAS No. | 918-85-4 | Density | 0.833g/cm3 |
| PSA | 20.23000 | LogP | 1.33340 |
| Solubility | Not miscible or difficult to mix in water. Soluble in alcohol. | Melting Point |
22.55°C (estimate) |
| Formula | C6H12 O | Boiling Point | 115.9°Cat760mmHg |
| Molecular Weight | 100.161 | Flash Point | 26°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Moderately toxic by ingestion and subcutaneous routes. When heated to decomposition it emits acrid smoke and irritating fumes. | Risk Codes | 10-22 |
| Molecular Structure |
|
Hazard Symbols |
|
| Synonyms |
(?à)-3-Methylpent-1-en-3-ol;1-Ethyl-1-methylallyl alcohol; 3-Hydroxy-3-methyl-1-pentene;3-Methyl-1-penten-3-ol; 3-Methyl-1-pentene-3-ol; Methylethylvinylcarbinol; NSC128156 |
Article Data | 47 |
3-Methyl-1-penten-3-ol Chemical Properties
Molecule structure of 3-Methyl-1-penten-3-ol (CAS NO.918-85-4) :
IUPAC Name: 3-methylpent-1-en-3-ol
Molecular Weight: 100.15888 g/mol
Molecular Formula: C6H12O
Density: 0.833 g/cm3
Boiling Point: 115.9 °C at 760 mmHg
Flash Point: 26 °C
Index of Refraction: 1.43
Molar Refractivity: 31.07 cm3
Molar Volume: 120.2 cm3
Polarizability: 12.31*10-24 cm3
Surface Tension: 26 dyne/cm
Enthalpy of Vaporization: 41.29 kJ/mol
Vapour Pressure: 9.36 mmHg at 25 °C
XLogP3-AA: 1.3
H-Bond Donor: 1
H-Bond Acceptor: 1
Rotatable Bond Count: 2
Exact Mass: 100.088815
MonoIsotopic Mass: 100.088815
Topological Polar Surface Area: 20.2
Heavy Atom Count: 7
Complexity: 68.6
Canonical SMILES: CCC(C)(C=C)O
InChI: InChI=1S/C6H12O/c1-4-6(3,7)5-2/h4,7H,1,5H2,2-3H3
InChIKey: HFYAEUXHCMTPOL-UHFFFAOYSA-N
EINECS: 213-044-2
Product Categories of 3-Methyl-1-penten-3-ol (CAS NO.918-85-4) : Acyclic;Alkenes;Organic Building Blocks
3-Methyl-1-penten-3-ol Toxicity Data With Reference
| 1. | orl-rat LD50:700 mg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 115 (1955),230. | ||
| 2. | orl-mus LD50:1152 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 4 (1954),477. | ||
| 3. | scu-mus LD50:1160 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 5 (1955),161. |
3-Methyl-1-penten-3-ol Consensus Reports
Reported in EPA TSCA Inventory.
3-Methyl-1-penten-3-ol Safety Profile
Moderately toxic by ingestion and subcutaneous routes. When heated to decomposition it emits acrid smoke and irritating fumes.
Hazard Codes: 
Xn
Risk Statements: 10-22
R10: Flammable
R22: Harmful if swallowed
Safety Statements: 16-36
S16: Keep away from sources of ignition
S36: Wear suitable protective clothing
RIDADR: UN 1987 3/PG 3
WGK Germany: 3
RTECS: SB3495000
HazardClass: 3
PackingGroup: III
3-Methyl-1-penten-3-ol Specification
3-Methyl-1-penten-3-ol (CAS NO.918-85-4) is also called 3-Methyl-penten-(1)-ol-(3) ; 3-Methyl-penten-(1)-ol-(3) ; German] ; 4-01-00-02147 (Beilstein Handbook Reference) ; AI3-25136 ; BRN 1361621 ; Ethylbutenol ; Methylethylvinylcarbinol ; NSC 128156 .
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