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W358118

Sigma-Aldrich

3-Octanol

≥97%, FCC, FG

Synonym(s):

Ethyl pentyl carbinol

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About This Item

Linear Formula:
CH3(CH2)4CH(OH)CH2CH3
CAS Number:
589-98-0
Molecular Weight:
130.23
FEMA Number:
3581
Beilstein/REAXYS Number:
1719310
EC Number:
209-667-4
Council of Europe no.:
4023
MDL number:
MFCD00004590
UNSPSC Code:
12164502
PubChem Substance ID:
24901792
Flavis number:
2.098
NACRES:
NA.21

biological source

synthetic

Quality Level

400

grade

FG
Halal
Kosher

agency

meets purity specifications of JECFA

reg. compliance

EU Regulation 1334/2008 & 178/2002
FCC
FDA 21 CFR 172.515

vapor density

~4.5 (vs air)

vapor pressure

~1 mmHg ( 20 °C)

assay

≥97%

refractive index

n20/D 1.426 (lit.)

bp

174-176 °C (lit.)

density

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

creamy; mushroom; musty; earthy; minty; waxy

SMILES string

CCCCCC(O)CC

InChI

1S/C8H18O/c1-3-5-6-7-8(9)4-2/h8-9H,3-7H2,1-2H3

InChI key

NMRPBPVERJPACX-UHFFFAOYSA-N

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Related Categories

Application

  • RIFM fragrance ingredient safety assessment, 3-octanol, CAS Registry Number 589-98-0: This safety assessment review offers a thorough examination of 3-Octanol′s application in the fragrance industry, discussing its solvent properties, safety, and handling in laboratory settings, thus serving as a critical reference for researchers focused on industrial applications and safety of fragrance ingredients (Api et al., 2021).

Biochem/physiol Actions

Taste at 10 ppm

Other Notes

Natural occurrence: Spearmint oil, oat groats, Ocimum basilicum, pimento leaf and truffle.

pictograms

Exclamation mark
GHS07

signalword

Warning

hcodes

H319

Hazard Classifications

Eye Irrit. 2

Storage Class

10 - Combustible liquids

wgk_germany

WGK 2

flash_point_f

154.4 °F

flash_point_c

68 °C

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Nannan Chen et al.
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Mosciano, G.
Perfumer & Flavorist, 21, 53-53 (1996)
Elena Canellas et al.
Journal of mass spectrometry : JMS, 49(11), 1181-1190 (2014-11-15)
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