ChemicalBook--->CAS DataBase List--->5870-93-9

5870-93-9

5870-93-9 Structure

5870-93-9 Structure
IdentificationMore
[Name]

HEPTYL BUTYRATE
[CAS]

5870-93-9
[Synonyms]

FEMA 2549
HEPTYL BUTYRATE
HEPTYL-N-BUTYRATE
HETYL BUTYRATE
N-HEPTYL BUTYRATE
butanoicacid,heptylester
Butyric acid, heptyl ester
butyricacid,heptylester
Heptyl butanoate
heptylbutanoate
n-Heptyl butanoate
n-Heptyl n-butyrate
HEPTYL BUTYRATE 98+%
1-HEPTYLBUTYRATE
Heptylbutyrat
HETYL BUTYRATE, NATURAL
[EINECS(EC#)]

227-526-5
[Molecular Formula]

C11H22O2
[MDL Number]

MFCD00048908
[Molecular Weight]

186.29
[MOL File]

5870-93-9.mol
Chemical PropertiesBack Directory
[Melting point ]

−58 °C(lit.)
[Boiling point ]

225-226 °C(lit.)
[density ]

0.864 g/mL at 25 °C(lit.)
[FEMA ]

2549
[refractive index ]

n20/D 1.4215(lit.)
[Fp ]

195 °F
[storage temp. ]

Store at room temperature
[solubility ]

Almost insoluble in water, soluble in alcohol, Propylene glycol and oils
[form ]

liquid
[color ]

Colorless
[Specific Gravity]

0.88
[Odor]

at 100.00 %. fruity tropical chamomile green tea sweet floral clean
[biological source]

synthetic
[Odor Type]

fruity
[Thermal Conductivity]

0.139 W/(m·K) at 25 ℃
[JECFA Number]

154
[Major Application]

flavors and fragrances
[Cosmetics Ingredients Functions]

PERFUMING
[InChI]

1S/C11H22O2/c1-3-5-6-7-8-10-13-11(12)9-4-2/h3-10H2,1-2H3
[InChIKey]

JPQHLIYIQARLQM-UHFFFAOYSA-N
[SMILES]

CCCCCCCOC(=O)CCC
[LogP]

4.43
[CAS DataBase Reference]

5870-93-9(CAS DataBase Reference)
[EPA Substance Registry System]

Heptyl butyrate (5870-93-9)
Safety DataBack Directory
[WGK Germany ]

2
[RTECS ]

EK7876000
[TSCA ]

TSCA listed
[Storage Class]

10 - Combustible liquids
Raw materials And Preparation ProductsBack Directory
[Raw materials]

1-Heptanol
Hazard InformationBack Directory
[Description]

Heptyl cinnamate has a green, leafy odor with a secondary hyacinth note. Heptyl cinnamate is prepared by esterification of nheptanol with cinnamic acid.
[Chemical Properties]

Heptyl butyrate has a fruity, chamomile-like odor and a sweet, green, tea-like taste suggestive of plum.
[Occurrence]

Reported found in fresh apple, grilled beef, fresh plum, plumcot and babaco fruit (Carica pentagona Heilborn)
[Uses]

could find use in perfume compositions, but it is rarely mentioned as a perfume material. It introduces interesting nuances in fruity-green topnote complexes for Chypre or Aldehyde-types, and it can be used as a modifier in “Cucumber”’ odor, sometimes called for in certain cosmetic preparations. It blends excellently with Clary Sage and with the new American Mentha citrata oils (Todd # 664 in particular). In flavor compositions, this ester adds freshness and fruity-green aroma to imitation Raspbemy, Apricot, Melon, Plum, and in floral and Violet type flavors. The concentration used is normally very low, about 0.5 to 3 ppm in the finished product.
[Definition]

ChEBI: Heptyl butyrate is a fatty acid ester.
[Preparation]

From n-heptyl alcohol and butyric acid in the presence of HCl.
Spectrum DetailBack Directory
[Spectrum Detail]

HEPTYL BUTYRATE(5870-93-9)1HNMR
HEPTYL BUTYRATE(5870-93-9)IR
HEPTYL BUTYRATE(5870-93-9)FT-IR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

5870-93-9(sigmaaldrich)
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