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Merck

W280003

1-Octanol

≥98%, FCC, FG

Sinónimos:

Alcohol C8, Capryl alcohol, Octyl alcohol

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Fórmula lineal:
CH3(CH2)7OH
Número CAS:
Peso molecular:
130.23
FEMA Number:
2800
Council of Europe no.:
54
UNSPSC Code:
12164502
PubChem Substance ID:
Flavis number:
2.006
EC Number:
203-917-6
NACRES:
NA.21
MDL number:
Beilstein/REAXYS Number:
1697461
Organoleptic:
fatty; green; citrus; waxy; floral; sweet
Grade:
FG, Fragrance grade, Halal, Kosher
Biological source:
synthetic
Agency:
follows IFRA guidelines, meets purity specifications of JECFA
Food allergen:
no known allergens
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SMILES string

CCCCCCCCO

InChI

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

InChI key

KBPLFHHGFOOTCA-UHFFFAOYSA-N

biological source

synthetic

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, 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

Quality Level

Gene Information

mouse ... Chrna1(11435)

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

fragrance allergen

no known allergens

organoleptic

fatty; green; citrus; waxy; floral; sweet

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General description

1-Octanol is one of the key flavor constituents of mushrooms.

Application

  • Noncontact In Situ Multidiagnostic NMR/Dielectric Spectroscopy: Research highlighted the application of 1-octanol in enhancing spectroscopic analysis techniques, providing noncontact, in situ measurements for complex biological samples (Morais AF, Radhakrishnan S, Arbiv G, et al., 2024) Anal Chem.

  • Development of a dispersive liquid-liquid microextraction method for the determination of plastic additives in seawater: Demonstrates the role of 1-octanol in environmental monitoring through the development of a microextraction method for assessing plastic additives in marine environments (González-Castro MJ, Uribe-Ares J, Muniategui-Lorenzo S, et al., 2024) Anal Methods.

  • Application of novel metal organic framework-deep eutectic solvent/molecularly imprinted polymer multiple monolithic fiber for solid phase microextraction of amphetamines and modafinil in unauthorized medicinal supplements with GC-MS: This study utilizes 1-octanol in a novel solid phase microextraction method, highlighting its utility in forensic and pharmaceutical analysis (Kardani F, Khezeli T, Shariati S, et al., 2024) J Pharm Biomed Anal.

Biochem/physiol Actions

Bloquea los canales de Ca2+ de tipo T.

pictograms

Exclamation mark

signalword

Warning

hcodes

Hazard Classifications

Aquatic Chronic 3 - Eye Irrit. 2

Clase de almacenamiento

10 - Combustible liquids

wgk

WGK 1

flash_point_f

187.7 °F

flash_point_c

86.5 °C

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter


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Flavor compounds in straw mushrooms Volvariella volvacea harvested at different stages of maturity.
Mau JL, et al.
Journal of Agricultural and Food Chemistry, 45(12), 4726-4729 (1997)
Aroma characteristics of Neungee (Sarcodon aspratus).
Jeong OJ, et al.
Korean Journal of Food Science and Technology, 33(3), 307-312 (2001)
Flavor compounds in king oyster mushrooms Pleurotus eryngii.
Mau JL, et al.
Journal of Agricultural and Food Chemistry, 46(11), 4587-4591 (1998)
R O Potts et al.
Pharmaceutical research, 9(5), 663-669 (1992-05-01)
Published permeability coefficient (Kp) data for the transport of a large group of compounds through mammalian epidermis were analyzed by a simple model based upon permeant size [molecular volume (MV) or molecular weight (MW)] and octanol/water partition coefficient (Koct). The
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

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