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Merck
CN

289485

3,5,5-Trimethyl-1-hexanol

technical grade, 85%

Synonym(s):

3,5,5-Trimethyl-1-hexanol, 3,5,5-Trimethylhexanol, 3,5,5-Trimethylhexyl alcohol, Nonylol, i-Nonyl alcohol

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About This Item

Linear Formula:
(CH3)3CCH2CH(CH3)CH2CH2OH
CAS Number:
3452-97-9
Molecular Weight:
144.25
NACRES:
NA.22
PubChem Substance ID:
24857200
UNSPSC Code:
12352100
EC Number:
222-376-7
MDL number:
MFCD00036138

Key Documents

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Product Name

3,5,5-Trimethyl-1-hexanol, technical grade, 85%

InChI key

BODRLKRKPXBDBN-UHFFFAOYSA-N

InChI

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

SMILES string

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

grade

technical grade

assay

85%

form

liquid

refractive index

n20/D 1.432 (lit.)

bp

193-194 °C (lit.)

density

0.824 g/mL at 25 °C (lit.)

functional group

hydroxyl

Quality Level

100

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General description

A dermatologic and toxicologic analysis of 3,5,5-trimethyl-1-hexanol (when used as a fragrance ingredient) was reported.

signalword

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
SHBT3374
SHBS4736
SHBR6191
SHBP4547
SHBQ8625

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D McGinty et al.
Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, 48 Suppl 4, S47-S50 (2010-08-13)
A toxicologic and dermatologic review of 3,5,5-trimethyl-1-hexanol when used as a fragrance ingredient is presented. 3,5,5-Trimethyl-1-hexanol is a member of the fragrance structural group branched chain saturated alcohols. The common characteristic structural elements of the alcohols with saturated branched chain

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