ChemicalBook--->CAS DataBase List--->4864-61-3

4864-61-3

4864-61-3 Structure

4864-61-3 Structure
IdentificationBack Directory
[Name]

3-OCTYL ACETATE
[CAS]

4864-61-3
[Synonyms]

FEMA 3583
98%, FCC, FG
3-Octylacetat
OCTYL-3-ACETAT
3-OCTYL ACETATE
3-Octanol,acetate
3-octanyl acetate
octan-3-yl acetate
3-Octanol, 3-acetate
1-Ethylhexyl acetate
3-OCTYL ACETATE, NATURAL
3-OCTYL ACETATE USP/EP/BP
3-OCTYL ACETATE 98+% FCC
aceticacid1-ethyl-hexylester
Acetic acid, 1-ethylhexyl ester
[EINECS(EC#)]

225-471-1
[Molecular Formula]

C10H20O2
[MDL Number]

MFCD00015349
[MOL File]

4864-61-3.mol
[Molecular Weight]

172.26
Chemical PropertiesBack Directory
[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 DataBack Directory
[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 ]

36/38
[Safety Statements ]

26-36/37
[WGK Germany ]

2
[TSCA ]

TSCA listed
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
Hazard InformationBack Directory
[Description]

3-Octyl acetate has a characteristic, complex aroma with a rose and jasmine note and an apple-lemon undertone with a sweet, peach-like flavor.
[Chemical Properties]

3-Octyl acetate has a characteristic, complex aroma with a rose and jasmine note and an apple-lemon undertone with a sweet, peach-like flavor.
[Occurrence]

Reported found in the peppermint and pennyroyal oil (Mentha pulegium L.), spearmint oil (Mentha spicata L.), Scotch spearmint oil (Mentha cardiaca Ger.), other Mentha oils and heated beef fat.
[Uses]

3-Octyl acetate has found some use in perfumery as a modifier in floral-herbaceous fragrance types, since it blends equally well. with Lavender and Rose, with Opopanax and Geranium, etc. It is also used as a modifier in minty fragrance types to introduce freshness and mild, warm notes without the weedy green notes often accompanying the Mint materials. There is a considerable difference between the odor of this ester and the acetates of the isomer Octanols. Unfortunately, the title ester is one of the comparatively expensive Octanylacetates, and its use is therefore somewhat restricted. It should not be confused with the acetate of Ethyl-iso-amyl carbinol which is an inexpensive, industrial petrochemical of entirely different odor type.
[Definition]

ChEBI: 3-Octyl acetate is a carboxylic ester.
[Taste threshold values]

Taste characteristics at 10 ppm: green, oily and waxy with a weak minty and tropical nuance.
[Synthesis]

3-Octyl acetate is prepared by direct esteritication of 3-Octanol with Acetic acid or Acetic anhydride.
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