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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:
1697461
MDL number:
MFCD00002988
UNSPSC Code:
12352104
PubChem Substance ID:
329752362
grade:
JIS special grade
Assay:
≥98.0%
technique(s):
HPLC: suitable
bp:
196 °C (lit.)
vapor pressure:
0.14 mmHg ( 25 °C)

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

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)

177.8 °F

Flash Point(C)

81 °C

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Certificates of Analysis (COA)

Lot/Batch Number
A0342
A8145
A9952
A8864
A7744

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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
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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
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