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Merck
CN

W354708

3-Heptanol

≥98%

Synonym(s):

Butyl ethyl carbinol

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About This Item

Linear Formula:
CH3(CH2)3CH(OH)CH2CH3
CAS Number:
589-82-2
Molecular Weight:
116.20
FEMA Number:
3547
Beilstein:
1719067
EC Number:
209-661-1
Council of Europe no.:
544
MDL number:
MFCD00004586
UNSPSC Code:
12164502
PubChem Substance ID:
24901775
Flavis number:
2.044
NACRES:
NA.21

Key Documents

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biological source

synthetic

Assay

≥98%

refractive index

n20/D 1.421 (lit.)

bp

66 °C/20 mmHg (lit.)

density

0.821 g/mL at 20 °C
0.818 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

Documentation

see Safety & Documentation for available documents

food allergen

no known allergens

Organoleptic

herbaceous

SMILES string

CCCCC(O)CC

InChI

1S/C7H16O/c1-3-5-6-7(8)4-2/h7-8H,3-6H2,1-2H3

InChI key

RZKSECIXORKHQS-UHFFFAOYSA-N

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Biochem/physiol Actions

Odor at 1.0%
Taste at 2 ppm

Other Notes

Natural occurrence: Banana cranberry papaya potato, malt, peppermint, Scotch spearmint, butter, cooked beef, coffee and brandy.

Pictograms

FlameExclamation mark
GHS02,GHS07

Signal Word

Warning

Hazard Statements

H226,H302

Hazard Classifications

Acute Tox. 4 Oral - Flam. Liq. 3

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

140.0 °F - closed cup

Flash Point(C)

60 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
MKCJ1775
MKBP3516V
MKBP3515V
MKBL3271V
MKBH9777V

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Mosciano, G.
Perfumer & Flavorist, 27(4), 68-68 (2002)
Maria Stecklum et al.
In vitro cellular & developmental biology. Animal, 51(2), 183-191 (2014-10-02)
In the present study, purified human cord blood stem cells were co-cultivated with murine hepatic alpha mouse liver 12 (AML12) cells to compare the effect on endodermal stem cell differentiation by either direct cell-cell interaction or by soluble factors in

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