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Cas Database |
| Name |
Cyclohexyl butyrate |
EINECS | N/A |
| CAS No. | 1551-44-6 | Density | 0.94g/cm3 |
| PSA | 26.30000 | LogP | 2.66240 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C10H18 O2 | Boiling Point | 214.9°Cat760mmHg |
| Molecular Weight | 170.252 | Flash Point | 78°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Low toxicity by ingestion and skin contact. When heated to decomposition it emits acrid smoke and irritating vapors. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Butyricacid, cyclohexyl ester (6CI,7CI,8CI); Cyclohexyl butanoate; Cyclohexylbutyrate; Cyclohexyl n-butyrate; NSC 53950 |
Article Data | 20 |
Cyclohexyl butyrate Chemical Properties
Product Name: Cyclohexyl butyrate (CAS NO.1551-44-6)
Molecular Formula: C10H18O2
Molecular Weight: 170.25g/mol
Mol File: 1551-44-6.mol
Einecs: 216-290-9
Boiling point: 214.9 °C at 760 mmHg
Flash Point: 78 °C
Density: 0.943 g/mL at 25 °C(lit.)
Refractive index: n20/D 1.4425(lit.)
Surface Tension: 31.4 dyne/cm
Enthalpy of Vaporization: 45.12 kJ/mol
Vapour Pressure: 0.152 mmHg at 25°C
XLogP3-AA: 2.8
H-Bond Donor: 0
H-Bond Acceptor: 2
Structure Descriptors of Cyclohexyl butyrate (CAS NO.1551-44-6):
IUPAC Name: cyclohexyl butanoate
Canonical SMILES: CCCC(=O)OC1CCCCC1
InChI: InChI=1S/C10H18O2/c1-2-6-10(11)12-9-7-4-3-5-8-9/h9H,2-8H2,1H3
InChIKey: VZHUBBUZNIULNM-UHFFFAOYSA-N
Product Categories: Alphabetical Listings; C-D; Flavors and Fragrances
Cyclohexyl butyrate Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| guinea pig | LD50 | skin | > 5gm/kg (5000mg/kg) | Food and Chemical Toxicology. Vol. 26, Pg. 293, 1988. | |
| rat | LDLo | oral | 5gm/kg (5000mg/kg) | Food and Chemical Toxicology. Vol. 26, Pg. 293, 1988. |
Cyclohexyl butyrate Consensus Reports
Reported in EPA TSCA Inventory.
Cyclohexyl butyrate Safety Profile
Low toxicity by ingestion and skin contact. When heated to decomposition it emits acrid smoke and irritating vapors.
Safety Information of Cyclohexyl butyrate (CAS NO.1551-44-6):
Safety Statements: 24/25
24: Avoid contact with skin
25: Avoid contact with eyes
Cyclohexyl butyrate Specification
Cyclohexyl butyrate ,its CAS NO. is 1551-44-6,the synonyms is 4-06-00-00037 (Beilstein Handbook Reference) ; AI3-06059 ; BRN 2083414 ; Butanoic acid, cyclohexyl ester ; Butyric acid, cyclohexyl ester ; CCRIS 6553 ; EINECS 216-290-9 ; FEMA No. 2351 ; NSC 53950 .
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