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W280011

Sigma-Aldrich

1-Octanol

natural, ≥98%, FCC

Synonym(s):

Alcohol C8, Capryl alcohol, Octyl alcohol

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About This Item

Linear Formula:
CH3(CH2)7OH
CAS Number:
111-87-5
Molecular Weight:
130.23
FEMA Number:
2800
Beilstein:
1697461
EC Number:
203-917-6
Council of Europe no.:
54c
MDL number:
MFCD00002988
UNSPSC Code:
12164502
PubChem Substance ID:
24901179
Flavis number:
2.006
NACRES:
NA.21

grade

Kosher
natural

Quality Level

400

Agency

meets purity specifications of JECFA

reg. compliance

FCC
FDA 21 CFR 172.515

vapor density

4.5 (vs air)

vapor pressure

0.14 mmHg ( 25 °C)

Assay

≥98%

form

liquid

autoignition temp.

523 °F

refractive index

n20/D 1.429 (lit.)

bp

196 °C (lit.)

mp

−15 °C (lit.)

density

0.827 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

Documentation

see Safety & Documentation for available documents

food allergen

no known allergens

Organoleptic

fatty; green; citrus; waxy; floral; sweet

SMILES string

CCCCCCCCO

InChI

1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3

InChI key

KBPLFHHGFOOTCA-UHFFFAOYSA-N

Gene Information

mouse ... Chrna1(11435)

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Related Categories

Biochem/physiol Actions

Blocks T-type Ca2+ channels

Disclaimer

For R&D or non-EU Food use. Not for retail sale.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H319,H412

Hazard Classifications

Aquatic Chronic 3 - Eye Irrit. 2

Storage Class Code

10 - Combustible liquids

WGK

WGK 1

Flash Point(F)

187.7 °F

Flash Point(C)

86.5 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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H Okazawa et al.
Journal of nuclear medicine : official publication, Society of Nuclear Medicine, 35(12), 1910-1915 (1994-12-01)
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Angelika Stenzel et al.
Environmental science & technology, 47(3), 1399-1406 (2013-01-19)
Polyparameter linear free energy relationships (pp-LFERs) can predict partition coefficients for a multitude of environmental and biological phases with high accuracy. In this work, the pp-LFER substance descriptors of 40 established and alternative flame retardants (e.g., polybrominated diphenyl ethers, hexabromocyclododecane
Sophie Martel et al.
European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences, 48(1-2), 21-29 (2012-11-08)
Lipophilicity is a crucial parameter in drug development since it impacts both ADME properties and target affinity of drug candidates. In early drug discovery stage, accurate tools for logP prediction are highly desired. Many calculation methods were developed to aid
D Southwell et al.
The Journal of investigative dermatology, 80(6), 507-514 (1983-06-01)
Penetration-enhancing solvents may modify diffusional routes through the stratum corneum and the partitioning of drugs into these pathways. To investigate the mechanisms of action of enhancers, steady-state fluxes were measured in vitro for polar methanol, nonpolar octanol, and an intermediate
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