-
Name
2-Heptenoic acid
- EINECS 242-738-8
- CAS No. 18999-28-5
- Article Data13
- CAS DataBase
- Density 0.968 g/cm3
- Solubility
- Melting Point
- Formula C7H12 O2
- Boiling Point 226.6 °C at 760 mmHg
- Molecular Weight 128.171
- Flash Point 133.4 °C
- Transport Information
- Appearance colorless to pale yellow clear liquid
- Safety Moderately toxic by intraperitoneal and subcutaneous routes. When heated to decomposition it emits acrid smoke and fumes.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms RARECHEM AL BK 0163;TRANS-2-HEPTENOIC ACID;(2E)-2-Heptenoic acid;HEPT-2-ENOIC ACID;2-HEPTENOIC ACID;2-HEPTENOIC ACID 97%
- PSA 37.30000
- LogP 1.81740
2-Heptenoic acid Chemical Properties
Molecular Structure of 2-Heptenoic acid (CAS NO.18999-28-5):
EINECS: 242-738-8
IUPAC Name: (E)-Hept-2-enoic acid
Molecular Formula: C7H12O2
Molecular Weight: 128.168980 g/mol
XLogP3-AA: 2.1
H-Bond Donor: 1
H-Bond Acceptor: 2
Canonical SMILES: CCCCC=CC(=O)O
Isomeric SMILES: CCCC/C=C/C(=O)O
InChI: InChI=1S/C7H12O2/c1-2-3-4-5-6-7(8)9/h5-6H,2-4H2,1H3,(H,8,9)/b6-5+
InChIKey: YURNCBVQZBJDAJ-AATRIKPKSA-N
Index of Refraction: 1.457
Molar Refractivity: 36.1 cm3
Molar Volume: 132.3 cm3
Surface Tension: 34 dyne/cm
Density: 0.968 g/cm3
Flash Point: 133.4 °C
Enthalpy of Vaporization: 51.02 kJ/mol
Boiling Point: 226.6 °C at 760 mmHg
Vapour Pressure: 0.0295 mmHg at 25 °C
Water Solubility: 2389 mg/L at 25 °C
2-Heptenoic acid Toxicity Data With Reference
| 1. | ipr-mus LD50:1600 mg/kg | JPPMAB Journal of Pharmacy and Pharmacology. 21 (1969),85. | ||
| 2. | scu-mus LD50:1600 mg/kg | JPPMAB Journal of Pharmacy and Pharmacology. 21 (1969),85. |
2-Heptenoic acid Safety Profile
Safety Information of 2-Heptenoic acid (CAS NO.18999-28-5):
RTECS: MJ9650000
Moderately toxic by intraperitoneal and subcutaneous routes. When heated to decomposition it emits acrid smoke and fumes.
2-Heptenoic acid Specification
2-Heptenoic acid with CAS Registry Number of 18999-28-5 is also known as Hept-2-enoic acid ; (2E)-2-Heptenoic acid ; 2-Heptenoic acid , 97% ; Heptenoic acid .
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