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289485

Sigma-Aldrich

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
EC Number:
222-376-7
MDL number:
MFCD00036138
UNSPSC Code:
12352100
PubChem Substance ID:
24857200
NACRES:
NA.22
form:
liquid
Assay:
85%

grade

technical grade

Quality Level

100

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

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

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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.

Signal Word

Warning

Hazard Statements

H315,H319,H373,H411

Hazard Classifications

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

Storage Class Code

10 - Combustible liquids

WGK

WGK 2

Flash Point(F)

176.0 °F - closed cup

Flash Point(C)

80 °C - closed cup

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

PRTR

Class II Designated Chemical Substances

FSL

Group 4: Flammable liquids
Type 3 petroleums
Hazardous rank III
Water insoluble liquid

ISHL Indicated Name

Substances Subject to be Indicated Names

ISHL Notified Names

Substances Subject to be Notified Names

JAN Code

289485-700ML:
289485-3L:
289485-1L:
289485-BULK:
289485-VAR:
289485-25ML:

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Certificates of Analysis (COA)

Lot/Batch Number
SHBR6191
SHBP4547
SHBQ8625
SHBL6900
MKCH6867

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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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