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W239100

Sigma-Aldrich

3,7-Dimethyl-1-octanol

≥98%, FCC, FG

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About This Item

Linear Formula:
(CH3)2CH(CH2)3CH(CH3)CH2CH2OH
CAS Number:
106-21-8
Molecular Weight:
158.28
FEMA Number:
2391
Beilstein:
1719638
EC Number:
203-374-5
Council of Europe no.:
75
MDL number:
MFCD00002936
UNSPSC Code:
12164502
PubChem Substance ID:
24901041
Flavis number:
2.026
NACRES:
NA.21

biological source

synthetic

Quality Level

400

grade

FG
Kosher

Agency

meets purity specifications of JECFA

reg. compliance

EU Regulation 1334/2008 & 178/2002
FCC
FDA 21 CFR 117
FDA 21 CFR 172.515

vapor density

5.4 (vs air)

vapor pressure

<0.01 mmHg ( 20 °C)

Assay

≥98%

refractive index

n20/D 1.436 (lit.)

bp

98-99 °C/9 mmHg (lit.)

density

0.828 g/mL at 20 °C (lit.)

application(s)

flavors and fragrances

Documentation

see Safety & Documentation for available documents

food allergen

no known allergens

Organoleptic

green; waxy; citrus; floral; soapy

SMILES string

CC(C)CCCC(C)CCO

InChI

1S/C10H22O/c1-9(2)5-4-6-10(3)7-8-11/h9-11H,4-8H2,1-3H3

InChI key

PRNCMAKCNVRZFX-UHFFFAOYSA-N

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Pictograms

Exclamation markEnvironment
GHS07,GHS09

Signal Word

Warning

Hazard Statements

H315,H319,H411

Hazard Classifications

Aquatic Chronic 2 - Eye Irrit. 2 - Skin Irrit. 2

Storage Class Code

10 - Combustible liquids

WGK

WGK 2

Flash Point(F)

206.6 °F - closed cup

Flash Point(C)

97 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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R M Hanif et al.
Journal of controlled release : official journal of the Controlled Release Society, 55(2-3), 297-302 (1998-10-31)
Poly(acrylic acid) gels containing 5-fluorouracil (5-FU) and tetrahydrogeraniol (THG) were prepared and the effects of THG on 5-FU permeation across the excised rat skin were studied by in vitro methods. Experiments on in vitro permeation of 5-FU across the skin
R M Hanif et al.
Chemical & pharmaceutical bulletin, 46(9), 1428-1431 (1998-10-17)
The tetrahydrogeraniol (THG) derivative, ethyl-(3,7-dimethyl octyl thio) acetate (EDOTA) was prepared by reacting tetrahydrogeranyl bromide (obtained by reaction of 40% hydrobromic acid and concentrated sulfuric acid) with ethyl 2-mercaptoacetate, while 3,7-dimethyl octyl propionate (DOP) was synthesized by a common esterification
J Pevsner et al.
The Journal of biological chemistry, 265(11), 6118-6125 (1990-04-15)
We have characterized the odorant binding properties of purified bovine odorant-binding protein (OBP) using as a ligand [3H]3,7-dimethyloctan-1-ol ([3H]DMO). A broad variety of odorants, including terpenes, aldehydes, esters, and musks, bind to OBP with affinities of 0.2 to 100 microM.
A Lapczynski et al.
Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, 46 Suppl 11, S139-S141 (2008-07-22)
A toxicologic and dermatologic review of 3,7-dimethyl-1-octanol when used as a fragrance ingredient is presented.
Gul Majid Khan et al.
Pakistan journal of pharmaceutical sciences, 24(4), 451-457 (2011-10-01)
In the present study a new alcohol derivative of tetrahydrogeraniol (THG), an acyclic monoterpene, has been prepared by using Grignard reagent and methyl cyclopropyl ketone. Penetration enhancing effects of THG and the synthesized derivative 5,9-dimethyl-2-cyclopropyl-2-decanol (DICNOL) on the transdermal penetration
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