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3,5,5-Trimethyl-1-hexanol

3,5,5-Trimethyl-1-hexanol structure

CAS No.: 3452-97-9

Chemical Name:: 3,5,5-Trimethyl-1-hexanol

Synonyms: ISONONANOL;1-Hexanol, 3,5,5-trimethyl-;3,5,5-Trimethylhexan-1-ol;FEMA 3324;Trimethyl-1-hexanol;3,5,5-TRIMETHYL HEXANOL;3,5,5-Trimethylhexyl Alcohol;i-nonyl;Nonylol;Nsc97226

CBNumber:: CB0466950

Molecular Formula:: C9H20O

Molecular Weight:: 144.25

MDL Number:: MFCD00036138

MOL File:: 3452-97-9.mol

MSDS File:: SDS

TDS File:: TDS

Last updated:2026-05-27 22:44:04

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3,5,5-Trimethyl-1-hexanol Properties

Melting point	6.15°C (estimate)
Boiling point	193-194 °C (lit.)
Density	0.824 g/mL at 25 °C (lit.)
vapor pressure	2hPa at 20℃
refractive index	n20/D 1.432(lit.)
FEMA	3324 \| 3,5,5-TRIMETHYL-1-HEXANOL
FLAVIS Number	02.055 \| 3,5,5-Trimethylhexan-1-ol
Flash point	178 °F
storage temp.	Sealed in dry,Room Temperature
form	clear liquid
pka	15.13±0.10(Predicted)
color	Colorless to Almost colorless
Odor	at 10.00 % in dipropylene glycol. grassy green weedy floral earthy aldehydic hay straw leaf
Odor Type	green
biological source	synthetic
Water Solubility	450.1mg/L(20 ºC)
JECFA Number	268
Henry's Law Constant	4.1×10^-2 mol/(m³Pa) at 25℃, Yaws (2003)
Cosmetics Ingredients Functions	SOLVENT FRAGRANCE
InChI	1S/C9H20O/c1-8(5-6-10)7-9(2,3)4/h8,10H,5-7H2,1-4H3
InChIKey	BODRLKRKPXBDBN-UHFFFAOYSA-N
SMILES	CC(CCO)CC(C)(C)C
LogP	3.7 at 25℃
CAS DataBase Reference	3452-97-9(CAS DataBase Reference)
Substances Added to Food (formerly EAFUS)	3,5,5-TRIMETHYL-1-HEXANOL
EWG's Food Scores	1
FDA UNII	O5KUD6I57K
NIST Chemistry Reference	1-Hexanol, 3,5,5-trimethyl-(3452-97-9)
EPA Substance Registry System	3,5,5-Trimethyl-1-hexanol (3452-97-9)
UNSPSC Code	12352100
NACRES	NA.22

SAFETY

Risk and Safety Statements

Symbol(GHS)

GHS07,GHS08,GHS09

Signal word

Warning

Hazard statements

H315-H319-H373-H411

Precautionary statements

P260-P264-P273-P302+P352-P305+P351+P338-P314

Hazard Codes

Xn,N,Xi

Risk Statements

36-51/53-52/53-22-36/38

Safety Statements

26-61-24/25

RIDADR

UN 3082 9/PG 3

WGK Germany

TSCA

TSCA listed

HazardClass

PackingGroup

III

HS Code

29051990

Storage Class

10 - Combustible liquids

Hazard Classifications

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

REACH Registrations

Active

NFPA 704

	2
2		0

3,5,5-Trimethyl-1-hexanol price More Price(24)

Manufacturer	Product number	Product description	CAS number	Packaging	Price	Updated	Buy
Sigma-Aldrich	W332402	3,5,5-Trimethyl-1-hexanol ≥85%	3452-97-9	1 each	$55.9	2026-04-30	Buy
Sigma-Aldrich	289485	3,5,5-Trimethyl-1-hexanol technical grade, 85%	3452-97-9	25ml	$41.3	2026-04-30	Buy
Sigma-Aldrich	289485	3,5,5-Trimethyl-1-hexanol technical grade, 85%	3452-97-9	1l	$84.4	2026-04-30	Buy
Sigma-Aldrich	W332402	3,5,5-Trimethyl-1-hexanol ≥85%	3452-97-9	1 unit	$54.6	2025-07-31	Buy
TCI Chemical	T0596	3,5,5-Trimethyl-1-hexanol >85.0%(GC)	3452-97-9	25mL	$17	2026-04-30	Buy

Product number	Packaging	Price	Buy
W332402	1 each	$55.9	Buy
289485	25ml	$41.3	Buy
289485	1l	$84.4	Buy
W332402	1 unit	$54.6	Buy
T0596	25mL	$17	Buy

3,5,5-Trimethyl-1-hexanol Chemical Properties,Uses,Production

Chemical Properties

Colorless liquid. Insoluble in water. Combustible.

Chemical Properties

3,5,5–1-Trimethyl-1-hexanol has a strong, oily-herbaceous odor. It becomes sweet on dilution.

Occurrence

Reported found in black currants (buds) and crab.

Uses

3,5,5-Trimethyl-1-hexanol can be used as a fragrance material and a flavoring agent for food.

Uses

Synthetic lubricants, additives to lubricating oils, wetting agent, softener in manufacture of various plastics, disinfectants and germicides.

Production Methods

3,5,5-Trimethylhexanol is prepared from diisobutene by the oxo process. This alcohol is also a minor component of isononyl alcohol.

Definition

ChEBI: 3,5,5-Trimethyl-1-hexanol is an aliphatic alcohol.

Preparation

By oxo reaction of diisobutylene to the corresponding aldehyde, from which the alcohol is prepared by hydrogenation.

Aroma threshold values

Aroma characteristics at 5.0%: green, floral, herbal, cooling, camphoreous, woody, melon and berry.

Taste threshold values

Taste characteristics at 10 ppm: green, cooling, herbal, woody, musty, berry, melon, with minty nuances.

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.

Flammability and Explosibility

Not classified

References

[1] Synthetic Communications, 2014, vol. 44, # 2, p. 280 - 288
[2] Patent: WO2004/26800, 2004, A1. Location in patent: Page 5; 6
[3] Patent: US2004/15007, 2004, A1. Location in patent: Page 5
[4] Patent: WO2006/136471, 2006, A1. Location in patent: Page/Page column 25-26

3,5,5-Trimethyl-1-hexanol Preparation Products And Raw materials

Raw materials

3,5,5-Trimethylhexanal Tricyclohexyl phosphine Palladium (II) Acetate Formic acid 1,4-Dioxane

Water

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Preparation Products

N-NONYL ACRYLATE

3,5,5-Trimethyl-1-hexanol Suppliers

Global( 162)Suppliers

Supplier	Tel	Email	Country	ProdList	Advantage
Nanjing Haochuang Jiarong New Material Co., Ltd	133-57705004 13813022170	591345372@qq.com	China	58	58
J & K SCIENTIFIC LTD.	18210857532 18210857532	jkinfo@jkchemical.com	China	96815	76
3B Pharmachem (Wuhan) International Co.,Ltd.	18930552037	3bsc@sina.com	China	15813	69
TCI (Shanghai) Development Co., Ltd.	021-67121386	Sales-CN@TCIchemicals.com	China	24512	81
Energy Chemical	400-0056266	sales8178@energy-chemical.com	China	44850	61
Syntechem Co.,Ltd		info@syntechem.com	China	12973	57
Sichuan Kulinan Technology Co., Ltd	400-1166-196 18981987031	cdhxsj@163.com	China	11674	57
Tianjin heowns Biochemical Technology Co., Ltd.	400 638 7771	sales@heowns.com	China	14412	57
Sinopharm Chemical Reagent Co,Ltd.	86-21-63210123	sj_scrc@sinopharm.com	China	9791	79
Maya High Purity Chemicals	+86 (573) 82222445 (0)18006601000 452520369	sales@maya-r.com	China	11693	57

Supplier	Advantage
Nanjing Haochuang Jiarong New Material Co., Ltd	58
J & K SCIENTIFIC LTD.	76
3B Pharmachem (Wuhan) International Co.,Ltd.	69
TCI (Shanghai) Development Co., Ltd.	81
Energy Chemical	61
Syntechem Co.,Ltd	57
Sichuan Kulinan Technology Co., Ltd	57
Tianjin heowns Biochemical Technology Co., Ltd.	57
Sinopharm Chemical Reagent Co,Ltd.	79
Maya High Purity Chemicals	57

View Lastest Price from 3,5,5-Trimethyl-1-hexanol manufacturers

Update time	Product	Price	Min. Order	Purity	Supply Ability	Manufacturer
2024-07-22	3,5,5-Trimethyl-1-hexanol 3452-97-9		1kg	98%	10ton	JINING XINHE CHEMICAL CO., LTD
2021-08-12	3,5,5-Trimethyl-1-hexanol 3452-97-9	$10.00-15.00	1KG	99%+ HPLC		Zhuozhou Wenxi import and Export Co., Ltd
2019-07-06	3,5,5-Trimethyl-1-hexanol 3452-97-9	$1.00	1kg	95%-99%	100kg	Career Henan Chemical Co

3,5,5-Trimethyl-1-hexanol
3452-97-9
98%
JINING XINHE CHEMICAL CO., LTD

3,5,5-Trimethyl-1-hexanol
3452-97-9
$10.00-15.00
99%+ HPLC
Zhuozhou Wenxi import and Export Co., Ltd

3,5,5-Trimethyl-1-hexanol
3452-97-9
$1.00
95%-99%
Career Henan Chemical Co

3,5,5-Trimethyl-1-hexanol Spectrum

3,5,5-Trimethyl-1-hexanol(3452-97-9)MS 3,5,5-Trimethyl-1-hexanol(3452-97-9)¹HNMR 3,5,5-Trimethyl-1-hexanol(3452-97-9)¹³CNMR 3,5,5-Trimethyl-1-hexanol(3452-97-9)IR1 3,5,5-Trimethyl-1-hexanol(3452-97-9)Raman

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3,5,5-Trimethylhexyl Alcohol ISONONYL ALCOHOL, LINEAR i-nonyl i-nonylalcohol Nonylol Trimethyl-1-hexanol Trimethylhexyl alcohol 3,5,5-TRIMETHYLHEXANOL (NONYL ALCOHOL) TECHNICAL 3,5,5-TRIMETHYHEXANOL 3,5,5-Trimethyl-1-Hexanol 3 3 5 5-TRIMETHYL-1-HEXANOL 85+% 3,5,5-Trimethyl-1-Hexanol,~90% 3,5,5-Trimethyl-1-he Isononanol Isononyl Alcohol 3,5,5-Trimethylhexyl Alcohol 3,5,5-Trimethyl-1-hexanol technical grade, 85% 2,2,4-TRIMETHYLHEXANOL Nsc97226 3,5,5-TRIMETHYL-N-HEXYL ALCOHOL 3,5,5-TRIMETHYL HEXANOL 3,5,5-TRIMETHYL-1-HEXANOL ,5,5-Trimethyl n-hexanol 3,5,5-trimethyl-1-hexano 3,5,5-trimethyl-hexan-1-ol 3,5,5-Trimethyl-1-hexanol > UNII:O5KUD6I57K 3,5,5-Trimethylhexan-1-ol, ≥85% 1-Hexanol, 3,5,5-trimethyl- 3,5,5-Trimethylhexan-1-ol FEMA 3324 ISONONANOL 3452-97-9 3452979 CH3CCH32CH2CH CH33CCH2CHCH3CH2CH2OH Organic Building Blocks Oxygen Compounds C9 to C30 Alcohols Building Blocks ALCOHOL Alphabetical Listings Flavors and Fragrances Q-Z Alcohols C9 to C30 Oxygen Compounds