-
Name
1,1-dimethoxybut-2-ene
- EINECS
- CAS No. 21962-24-3
- Article Data10
- CAS DataBase
- Density 0.864g/cm3
- Solubility
- Melting Point
- Formula C6H12 O2
- Boiling Point 114.6°Cat760mmHg
- Molecular Weight 116.16
- Flash Point 12.1°C
- Transport Information
- Appearance
- Safety Moderately toxic inhalation. When heated to decomposition it emits acrid smoke and irritating fumes.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Crotonaldehyde,dimethyl acetal (6CI,7CI,8CI); 1,1-Dimethoxy-2-butene; 2-Butenal dimethylacetal
- PSA 18.46000
- LogP 1.18140
Propylene formal Chemical Properties
Product Name: Propylene formal (CAS NO.21962-24-3)
Molecular Formula: C6H12O2
Molecular Weight: 116.15828g/mol
Mol File: 21962-24-3.mol
Einecs: 244-683-5
Boiling point: 114.6 °C at 760 mmHg
Flash Point: 12.1 °C
Density: 0.864 g/cm3
Surface Tension: 23.2 dyne/cm
Enthalpy of Vaporization: 33.84 kJ/mol
Vapour Pressure: 23.4 mmHg at 25°C
XLogP3-AA: 0.9
H-Bond Donor: 0
H-Bond Acceptor: 2
Structure Descriptors of Propylene formal (CAS NO.21962-24-3):
IUPAC Name: (E)-1,1-dimethoxybut-2-ene
Canonical SMILES: CC=CC(OC)OC
Isomeric SMILES: C/C=C/C(OC)OC
InChI: InChI=1S/C6H12O2/c1-4-5-6(7-2)8-3/h4-6H,1-3H3/b5-4+
InChIKey: NOYRGONWBIVLEL-SNAWJCMRSA-N
Propylene formal Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LC50 | inhalation | 400ppm/4H (400ppm) | BEHAVIORAL: GENERAL ANESTHETIC | AMA Archives of Industrial Health. Vol. 12, Pg. 623, 1955. |
Propylene formal Consensus Reports
Reported in EPA TSCA Inventory.
Propylene formal Safety Profile
Moderately toxic inhalation. When heated to decomposition it emits acrid smoke and irritating fumes.
Propylene formal Specification
Propylene formal ,its CAS NO. is 21962-24-3,the synonyms is 2-Butenal dimethyl acetal ; 3-01-00-02979 (Beilstein Handbook Reference) ; BRN 1720659 ; Crotonaldehyde dimethyl acetal ; EINECS 244-683-5 ; 1,1-Dimethoxybut-2-ene ; 2-Butene, 1,1-dimethoxy- ; Crotonaldehyde, dimethyl acetal (6CI,7CI,8CI) .
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