Hexyl butyrate Structure

Hexyl butyrate

Chemical Properties

Melting point -78°C
Boiling point 205 °C(lit.)
Density  0.851 g/mL at 25 °C(lit.)
vapor pressure  30Pa at 20℃
FEMA  2568 | HEXYL BUTYRATE
refractive index  n20/D 1.417(lit.)
FLAVIS Number 09.045 | Hexyl butyrate
Flash point 178 °F
storage temp.  Store below +30°C.
color  Colorless to Almost colorless
Odor at 10.00 % in dipropylene glycol. green sweet fruity apple waxy soapy
Odor Type green
biological source synthetic
Water Solubility  20.3mg/L at 20℃
Thermal Conductivity 0.137 W/(m·K) at 25 ℃
JECFA Number 153
Henry's Law Constant 1.1×10-2 mol/(m3Pa) at 25℃, Dupeux et al. (2022)
Major Application flavors and fragrances
Cosmetics Ingredients Functions PERFUMING
InChI 1S/C10H20O2/c1-3-5-6-7-9-12-10(11)8-4-2/h3-9H2,1-2H3
InChIKey XAPCMTMQBXLDBB-UHFFFAOYSA-N
SMILES CCCCCCOC(=O)CCC
LogP 4.4 at 35℃
CAS DataBase Reference 2639-63-6(CAS DataBase Reference)
Substances Added to Food (formerly EAFUS) HEXYL BUTYRATE
FDA 21 CFR 172.515(Synthetic flavoring substances and adjuvants)
EWG's Food Scores 1
FDA UNII 74HY6P24G7
NIST Chemistry Reference Butanoic acid, hexyl ester(2639-63-6)
EPA Substance Registry System Butanoic acid, hexyl ester (2639-63-6)
UNSPSC Code 12352108
NACRES NA.22

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H227
Precautionary statements P210-P280-P370+P378-P403+P235-P501
Risk Statements  10
Safety Statements  16
RIDADR  3272
WGK Germany  2
RTECS  ET4203000
TSCA  TSCA listed
HS Code  2915 60 19
Storage Class 10 - Combustible liquids
Toxicity LD50 orally in Rabbit: > 5000 mg/kg LD50 dermal Rabbit > 5000 mg/kg
NFPA 704:
2
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