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Merck
CN

W239100

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
Council of Europe no.:
75
UNSPSC Code:
12164502
PubChem Substance ID:
24901041
Flavis number:
2.026
EC Number:
203-374-5
NACRES:
NA.21
MDL number:
MFCD00002936
Beilstein/REAXYS Number:
1719638

Key Documents

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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

biological source

synthetic

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

Quality Level

400

pictograms

Exclamation markEnvironment
GHS07,GHS09

signalword

Warning

Hazard Classifications

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

Storage Class

10 - Combustible liquids

wgk

WGK 2

flash_point_f

206.6 °F - closed cup

flash_point_c

97 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
SHBN6410
SHBL1628
MKCJ3369
MKCC1192
MKBZ4820V

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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
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
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.
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
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.
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