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W254703

Sigma-Aldrich

Heptyl acetate

≥98%, FG

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Synonym(s):
n-Heptyl acetate
Empirical Formula (Hill Notation):
C9H18O2
CAS Number:
112-06-1
Molecular Weight:
158.24
FEMA Number:
2547
EC Number:
203-932-8
Council of Europe no.:
212
MDL number:
MFCD00027311
PubChem Substance ID:
24901134
Flavis number:
9.022
NACRES:
NA.21

biological source

synthetic

Quality Level

400

grade

FG
Fragrance grade
Halal
Kosher

Agency

follows IFRA guidelines
meets purity specifications of JECFA

reg. compliance

EU Regulation 1223/2009
EU Regulation 1334/2008 & 178/2002
FDA 21 CFR 117
FDA 21 CFR 172.515

vapor density

5.5 (vs air)

vapor pressure

12 mmHg ( 73 °C)

Assay

≥98%

refractive index

n20/D 1.415 (lit.)

bp

192-193 °C (lit.)

mp

−50.2 (lit.)

density

0.886 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

Documentation

see Safety & Documentation for available documents

food allergen

no known allergens

fragrance allergen

no known allergens

Organoleptic

fatty; green; waxy; citrus; woody; wine-like

SMILES string

CCCCCCCOC(C)=O

InChI

1S/C9H18O2/c1-3-4-5-6-7-8-11-9(2)10/h3-8H2,1-2H3

InChI key

ZCZSIDMEHXZRLG-UHFFFAOYSA-N

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General description

Heptyl acetate is one of the main volatile constituents identified in Asian pear, beer and Tosa-buntan essential oil.

Storage Class Code

10 - Combustible liquids

WGK

WGK 2

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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New method for analyzing the volatiles in beer.
Harayama K, et al.
Bioscience, Biotechnology, and Biochemistry, 58(12), 2246-2247 (1994)
Characteristic aroma components of Tosa-buntan (Citrus grandis Osbeck forma Tosa) fruit.
Sawamura M, et al.
Food Science and Technology Research, 7(1), 45-49 (2001)
Volatile constituents of Asian pear (Pyrus serotina).
Takeoka GR, et al.
Journal of Agricultural and Food Chemistry, 40(10), 1925-1929 (1992)
R L Isitt et al.
Journal of chemical ecology, 46(5-6), 497-507 (2020-06-20)
Prior research from trapping experiments using synthetic pheromone components suggested the existence of local and geographical variation in the pheromone system of the spruce beetle, Dendroctonus rufipennis (Kirby). To test hypotheses concerning variation in the spruce beetle's aggregation pheromone blend
Letian Xu et al.
Microbial ecology, 70(4), 1012-1023 (2015-05-20)
Bark beetles are the most important mortality agent in coniferous forests, and pheromones play important roles in their management. Dendroctonus valens LeConte was introduced from North America to China and has killed millions of healthy pines there. Trapping with semiochemicals
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