| Identification | More | [Name]
3,5,5-Trimethyl-1-hexanol | [CAS]
3452-97-9 | [Synonyms]
3,5,5-TRIMETHYL-1-HEXANOL
3,5,5-TRIMETHYL HEXANOL
3,5,5-TRIMETHYL-N-HEXYL ALCOHOL
FEMA 3324
ISONONANOL
ISONONYL ALCOHOL
NONYL ALCOHOL
,5,5-Trimethyl n-hexanol
3,5,5-trimethyl-1-hexano
3,5,5-trimethyl-hexan-1-ol
3,5,5-Trimethylhexan-1-ol
i-nonyl
i-nonylalcohol
Nonylol
Trimethyl-1-hexanol
Trimethylhexyl alcohol
3,5,5-Trimethyl-1-Hexanol 3
3 5 5-TRIMETHYL-1-HEXANOL 85+%
3,5,5-Trimethyl-1-Hexanol,~90%
1-Hexanol, 3,5,5-trimethyl- | [EINECS(EC#)]
222-376-7 | [Molecular Formula]
C9H20O | [MDL Number]
MFCD00036138 | [Molecular Weight]
144.25 | [MOL File]
3452-97-9.mol |
| Chemical Properties | Back Directory | [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℃ | [FEMA ]
3324 | [refractive index ]
n20/D 1.432(lit.)
| [Fp ]
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 | [biological source]
synthetic | [Odor Type]
green | [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℃ | [Uses]
Synthetic lubricants, additives to lubricating
oils, wetting agent, softener in manufacture of various
plastics, disinfectants and germicides. | [CAS DataBase Reference]
3452-97-9(CAS DataBase Reference) | [NIST Chemistry Reference]
1-Hexanol, 3,5,5-trimethyl-(3452-97-9) | [EPA Substance Registry System]
3452-97-9(EPA Substance) |
| Safety Data | Back Directory | [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 ]
R36:Irritating to the eyes.
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
R52/53:Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
R22:Harmful if swallowed. | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S61:Avoid release to the environment. Refer to special instructions safety data sheet . | [RIDADR ]
UN 3082 9/PG 3
| [WGK Germany ]
2
| [TSCA ]
TSCA listed | [REACH Registrations]
Active | [HazardClass ]
9 | [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 |
| Hazard Information | Back Directory | [Chemical Properties]
3,5,5–1-Trimethyl-1-hexanol has a strong, oily-herbaceous odor. It becomes sweet on dilution. | [Chemical Properties]
Colorless liquid. Insoluble in water. Combustible.
| [Occurrence]
Reported found in black currants (buds) and crab. | [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. | [Production Methods]
3,5,5-Trimethylhexanol is prepared from diisobutene by the
oxo process. This alcohol is also a minor component of
isononyl alcohol. | [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]
Notclassified | [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 |
| Spectrum Detail | Back Directory | [Spectrum Detail]
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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| Company Name: |
J & K SCIENTIFIC LTD.
|
| Telephone: |
18210857532 18210857532 |
| Website: |
https://www.jkchemical.com |
| Company Name: |
Energy Chemical
|
| Telephone: |
400-0056266 |
| Website: |
www.energy-chemical.com |
| Company Name: |
Maya High Purity Chemicals
|
| Telephone: |
+86 (573) 82222445 (0)18006601000 452520369 |
| Website: |
www.chemicalbook.com/ShowSupplierProductsList15221/0_EN.htm |
| Company Name: |
Spectrum Chemical Manufacturing Corp.
|
| Telephone: |
021-021-021-67601398-809-809-809 15221380277 |
| Website: |
www.spectrumchemical.com/oa_html/index.jsp?minisite=10020&respid=22372&language=us |
|