Molecular Structure of 2-Propenoic acid, cyclohexyl ester (3066-71-5):
EINECS: 221-319-3
IUPAC Name: Cyclohexyl prop-2-enoate
Molecular Formula: C9H14O2
Molecular Weight: 154.206260 g/mol
XLogP3-AA: 2.5
H-Bond Donor: 0
H-Bond Acceptor: 2
Canonical SMILES: C=CC(=O)OC1CCCCC1
InChI: InChI=1S/C9H14O2/c1-2-9(10)11-8-6-4-3-5-7-8/h2,8H,1,3-7H2
InChIKey: KBLWLMPSVYBVDK-UHFFFAOYSA-N
Index of Refraction: 1.459
Molar Refractivity: 43.27 cm3
Molar Volume: 158 cm3
Surface Tension: 31.1 dyne/cm
Density: 0.97 g/cm3
Flash Point: 71.3 °C
Enthalpy of Vaporization: 43.58 kJ/mol
Boiling Point: 199.6 °C at 760 mmHg
Vapour Pressure: 0.339 mmHg at 25 °C
Water Solubility: 200.3 mg/L at 25 °C
Refractive Index: 1.4600
BRN: 1937528
1. | orl-rat LD50:8980 µL/kg | TXAPA9 Toxicology and Applied Pharmacology. 28 (1974),313. | ||
2. | skn-rbt LD50:2520 µL/kg | TXAPA9 Toxicology and Applied Pharmacology. 28 (1974),313. |
Reported in EPA TSCA Inventory.
Safety Information of 2-Propenoic acid, cyclohexyl ester (3066-71-5):
Hazard Codes: Xi ,N
Risk Statements: 37/38-51/53
37/38: Irritating to respiratory system and skin
51/53: Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment
Safety Statements: 26-36/37/39-61
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36/37/39: Wear suitable protective clothing, gloves and eye/face protection
61: Avoid release to the environment. Refer to special instructions safety data sheet
RIDADR: 3082
RTECS: AS7350000
HazardClass: 9
PackingGroup: III
Moderately toxic by skin contact. Low toxicity by ingestion. When heated to decomposition it emits acrid smoke and irritating vapors.
2-Propenoic acid, cyclohexyl ester (3066-71-5) is known as 4-06-00-00038 (Beilstein Handbook Reference) ; AI3-03839 ; Cyclohexyl acrylate ; NSC 18612 ; SR 220 ; Sartomer SR 220 ; Acrylic acid, cyclohexyl ester ; Cyclohexyl acrylate .
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