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23-0120

Sigma-Aldrich

1-Octanol

JIS special grade, ≥98.0%

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
Beilstein/REAXYS Number:
1697461
MDL number:
MFCD00002988
UNSPSC Code:
12352104
PubChem Substance ID:
329752362

grade

JIS special grade

vapor density

4.5 (vs air)

vapor pressure

0.14 mmHg ( 25 °C)

assay

≥98.0%

form

liquid

autoignition temp.

523 °F

expl. lim.

8 % (lit.)

availability

available only in Japan

technique(s)

HPLC: suitable

refractive index

n20/D 1.429 (lit.)

bp

196 °C (lit.)

mp

−15 °C (lit.)

density

0.827 g/mL at 25 °C (lit.)

SMILES string

CCCCCCCCO

InChI

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

InChI key

KBPLFHHGFOOTCA-UHFFFAOYSA-N

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Biochem/physiol Actions

Blocks T-type Ca2+ channels

pictograms

Exclamation mark
GHS07

signalword

Warning

hcodes

H319,H412

Hazard Classifications

Aquatic Chronic 3 - Eye Irrit. 2

Storage Class

10 - Combustible liquids

wgk_germany

WGK 1

flash_point_f

177.8 °F

flash_point_c

81 °C

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Cristian Gobbo et al.
ACS nano, 6(12), 10684-10698 (2012-12-12)
Controlling the molecular conformation of oligomers on surfaces through noncovalent interactions symbolizes an important approach in the bottom-up patterning of surfaces with nanoscale precision. Here we report on the design, synthesis, and scanning tunneling microscopy (STM) investigation of linear oligoamides
B D Anderson et al.
The Journal of investigative dermatology, 93(2), 280-286 (1989-08-01)
The permeability coefficients (kp) of a series of methyl-substituted p-cresols were determined in human stratum corneum along with their partition coefficients (PC) between water and untreated stratum corneum, delipidized stratum corneum, octanol, and heptane. The PC values were identical in
John A Arnott et al.
Expert opinion on drug discovery, 7(10), 863-875 (2012-09-21)
The role of lipophilicity in drug discovery and design is a critical one. Lipophilicity is a key physicochemical property that plays a crucial role in determining ADMET (absorption, distribution, metabolism, excretion, and toxicity) properties and the overall suitability of drug
Ashraf S Al-Madhoun et al.
Cancer research, 64(17), 6280-6286 (2004-09-03)
Thymidine analogs containing o-carboranylalkyl groups at the 3-position were screened as potential substrates for human thymidine kinase 1 (TK1), an enzyme that is selectively expressed in a variety of rapidly proliferating cells, including tumor cells. On the basis of previous
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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