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Merck
CN

W315109

2-Ethyl-1-hexanol

≥99%, FG

Synonym(s):

Isooctyl alcohol

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About This Item

Linear Formula:
CH3(CH2)3CH(C2H5)CH2OH
CAS Number:
104-76-7
Molecular Weight:
130.23
FEMA Number:
3151
Council of Europe no.:
11763
UNSPSC Code:
12164502
PubChem Substance ID:
24901492
Flavis number:
2.082
EC Number:
203-234-3
NACRES:
NA.21
MDL number:
MFCD00004746
Beilstein/REAXYS Number:
1719280
Organoleptic:
fresh; oily; citrus; 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

Key Documents

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SMILES string

CCCCC(CC)CO

InChI

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

InChI key

YIWUKEYIRIRTPP-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

vapor density

4.49 (vs air)

vapor pressure

0.2 mmHg ( 20 °C)

assay

≥99%

autoignition temp.

550 °F

expl. lim.

0.88 %, 104 °F, 9.7 %, 113 °F

Quality Level

300, 400

refractive index

n20/D 1.431 (lit.)

bp

183-186 °C (lit.)

mp

−76 °C (lit.)

density

0.833 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

fresh; oily; citrus; floral; sweet

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Related Categories

General description

2-Ethyl-1-hexanol present in indoor air has been reported to be a potential causative agent of sick building syndrome and development of asthma symptoms.

Application

  • Thyroid Hormone Transporters in a Human Placental Cell Model.: This study investigates the role of 2-Amino-2-norbornanecarboxylic acid in the transport of thyroid hormones in placental cells, offering insights that could improve understanding of fetal development and maternal health (Chen et al., 2022).

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Acute Tox. 4 Inhalation - Aquatic Chronic 3 - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

10 - Combustible liquids

wgk

WGK 1

flash_point_f

167.0 °F - closed cup

flash_point_c

75 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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Certificates of Analysis (COA)

Lot/Batch Number
SHBS8350
SHBS8204
SHBS4174
SHBS0069
SHBQ8735

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Asthma symptoms in relation to measured building dampness in upper concrete floor construction, and 2-ethyl-1-hexanol in indoor air.
Norback D, et al.
The International Journal of Tuberculosis and Lung Disease : the Official Journal of the International Union Against Tuberculosis and Lung Disease, 4(11), 1016-1025 (2000)
Two sensitive sick-building syndrome patients possibly responding to p-dichlorobenzene and 2-Ethyl-1-hexanol: Case Report.
Kondo F, et al.
Journal of Health Science, 53(1), 119-123 (2007)
2-Ethyl-1-hexanol in indoor air as a possible cause of sick building symptoms.
Kamijima M, et al.
Journal of Occupational Health, 44(3), 186-191 (2002)
L Ernstgård et al.
Indoor air, 20(2), 168-175 (2010-04-23)
The objective was to assess acute effects from controlled exposure of volunteers to 2-ethyl-1-hexanol, a volatile organic compound that is often found in indoor air. Sixteen males and fourteen females were in random order exposed to 1 mg/m(3) of vapors
D McGinty et al.
Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, 48 Suppl 4, S115-S129 (2010-08-13)
A summary of the safety data available for 2-ethyl-1-hexanol when used as a fragrance ingredient is presented. 2-Ethyl-1-hexanol is a member of the fragrance structural group branched chain saturated alcohols in which the common characteristic structural element is one hydroxyl
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