Heptyl Acetate , >99.0%(GC) , 112-06-1

Synonym(s):
n-Heptyl acetate

CAS NO.：112-06-1

Empirical Formula: C9H18O2

Molecular Weight: 158.24

MDL number: MFCD00027311

EINECS: 203-932-8

PRODUCT Properties

• Melting point: −50 °C
• Boiling point: 192 °C
• Density: 0,87 g/cm³
• vapor density: 5.5 (vs air)
• vapor pressure: 12 mm Hg ( 73 °C)
• refractive index: n20/D 1.414
• FEMA: 2547 | HEPTYL ACETATE
• Flash point: 154 °F
• storage temp.: Store at room temperature
• form: clear liquid
• color: A colourless liquid with a slightly floral odour
• Specific Gravity: 0.866～0.874 (20/4℃)
• Odor: at 100.00 %. fresh green rum ripe fruit pear apricot woody
• Odor Type: green
• biological source: synthetic
• Thermal Conductivity: 0.128 W/(m·K) at 25 ℃
• JECFA Number: 129
• Henry's Law Constant: 1.2×10^-2 mol/(m³Pa) at 25℃, Yaws (2003)
• Major Application: flavors and fragrances
• Cosmetics Ingredients Functions: PERFUMING
• InChI: 1S/C9H18O2/c1-3-4-5-6-7-8-11-9(2)10/h3-8H2,1-2H3
• InChIKey: ZCZSIDMEHXZRLG-UHFFFAOYSA-N
• SMILES: CCCCCCCOC(C)=O
• LogP: 3.37
• CAS DataBase Reference: 112-06-1(CAS DataBase Reference)
• NIST Chemistry Reference: Acetic acid, heptyl ester(112-06-1)
• EPA Substance Registry System: Acetic acid, heptyl ester (112-06-1)

Description and Uses

Heptyl acetate has a pleasant odor suggestive of pear (rose) and a sweet apricot-like taste. May be synthesized from n-heptyl alcohol and acetyl chloride in ether solution in the presence of magnesium dust.

Artificial fruit essences.

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H227
• Precautionary statements: P210-P280-P370+P378-P403+P235-P501
• PPE: Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
• Risk Statements: 38
• Safety Statements: 15
• WGK Germany: 2
• RTECS: AH9901000
• TSCA: TSCA listed
• HS Code: 29153900
• Storage Class: 10 - Combustible liquids
• Toxicity: Both the acute oral LD₅₀ value in rats and the acute dermal LD₅₀ value in rabbits exceeded 5 g/kg