4864-61-3

Name 3-OCTYL ACETATE
CAS 4864-61-3
EINECS(EC#) 225-471-1
Molecular Formula C10H20O2
MDL Number MFCD00015349
Molecular Weight 172.26
MOL File 4864-61-3.mol

Chemical Properties

Melting point  -65.75°C (estimate)
Boiling point  99 °C18 mm Hg(lit.)
density  0.86 g/mL at 25 °C(lit.)
FEMA  3583 | 3-OCTYL ACETATE
refractive index  n20/D 1.415(lit.)
Fp  157 °F
Odor at 100.00 %. fresh bergamot woody green grapefruit rose apple mint
biological source synthetic
Odor Type herbal
JECFA Number 313
Major Application flavors and fragrances
Cosmetics Ingredients Functions PERFUMING
InChI 1S/C10H20O2/c1-4-6-7-8-10(5-2)12-9(3)11/h10H,4-8H2,1-3H3
InChIKey STZUZYMKSMSTOU-UHFFFAOYSA-N
SMILES CCCCCC(CC)OC(C)=O
LogP 3.712 (est)
EPA Substance Registry System 3-Octanol, acetate (4864-61-3)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H315-H319
Precautionary statements  P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313
Hazard Codes  Xi
Risk Statements 
Safety Statements 
WGK Germany  2
TSCA  TSCA listed
Storage Class 10 - Combustible liquids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2

Hazard Information

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