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
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. |
Reported in EPA TSCA Inventory.
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 ,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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