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Key Documents

W219908

Sigma-Aldrich

Butyl heptanoate

≥98%

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About This Item

Linear Formula:
CH3(CH2)5CO2(CH2)3CH3
CAS Number:
Molecular Weight:
186.29
FEMA Number:
2199
EC Number:
Council of Europe no.:
363
MDL number:
UNSPSC Code:
12164502
PubChem Substance ID:
Flavis number:
9.091

biological source

synthetic

reg. compliance

FDA 21 CFR 172.515

Assay

≥98%

refractive index

n20/D 1.421 (lit.)

bp

226 °C (lit.)

mp

−67.5 °C (lit.)

density

0.863 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

Organoleptic

apple; marigold; herbaceous

SMILES string

CCCCCCC(=O)OCCCC

InChI

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

InChI key

YPQSPODHFDGVAC-UHFFFAOYSA-N

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Other Notes

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Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

188.6 °F - closed cup

Flash Point(C)

87 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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