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Merck
CN

W332402

3,5,5-Trimethyl-1-hexanol

≥85%

Synonym(s):

3,5,5-trimethyl hexanol

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About This Item

Linear Formula:
(CH3)3CCH2CH(CH3)CH2CH2OH
CAS Number:
3452-97-9
Molecular Weight:
144.25
FEMA Number:
3324
Council of Europe no.:
702
UNSPSC Code:
12164502
PubChem Substance ID:
24901641
Flavis number:
2.055
EC Number:
222-376-7
NACRES:
NA.21
MDL number:
MFCD00036138
Organoleptic:
green; floral; herbaceous
Biological source:
synthetic
Food allergen:
no known allergens

Key Documents

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Product Name

3,5,5-Trimethyl-1-hexanol, ≥85%

SMILES string

CC(CCO)CC(C)(C)C

InChI

1S/C9H20O/c1-8(5-6-10)7-9(2,3)4/h8,10H,5-7H2,1-4H3

InChI key

BODRLKRKPXBDBN-UHFFFAOYSA-N

biological source

synthetic

assay

≥85%

refractive index

n20/D 1.432 (lit.)

bp

193-194 °C (lit.)

density

0.824 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

documentation

see Safety & Documentation for available documents

food allergen

no known allergens

organoleptic

green; floral; herbaceous

Quality Level

300

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Disclaimer

For R&D or non-EU Food use. Not for retail sale.

General description

3,5,5-Trimethyl-1-hexanol is a branched chain saturated alcohol that is commonly used as a fragrance ingredient. It occurs naturally in Lycii fructus.

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Warning

Hazard Classifications

Aquatic Chronic 2 - Eye Irrit. 2 - Skin Irrit. 2 - STOT RE 2 Oral

Storage Class

10 - Combustible liquids

wgk

WGK 2

flash_point_f

176.0 °F - closed cup

flash_point_c

80 °C - closed cup

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Certificates of Analysis (COA)

Lot/Batch Number
SHBQ7908
SHBP8210
SHBP6324
SHBP3746
STBK0175

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Fragrance material review on 3, 5, 5-trimethyl-1-hexanol.
McGinty D, et al.
Food And Chemical Toxicology, 48,, S47-S50 (2010)
Aroma?Active Components of Lycii fructus (kukija).
Lee GH, et al.
Journal of Food Science, 73(6) (2008)

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