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3,5,5-Trimethyl-1-hexanol

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

CAS No:
3452-97-9
Formula:
C9H20O
Chemical Name:
3,5,5-Trimethyl-1-hexanol
Synonyms:
1-Hexanol,3,5,5-trimethyl-;3,5,5-Trimethyl-1-hexanol;Nonylol;3,5,5-Trimethylhexanol;i-Nonyl alcohol;3,5,5-Trimethylhexyl alcohol;NSC 83151;NSC 97226;140237-16-7;201404-81-1
Categories:
Cosmetic Ingredient > Dissolving Agent

Description

Colorless liquid. Insoluble in water. Combustible. 3,5,5–1-Trimethyl-1-hexanol has a strong, oily-herbaceous odor. It becomes sweet on dilution.

Liquid|COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR.|colourless, to yellow oily liquid or solid with a strong, oily, herbaceous odour

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

3,5,5-Trimethyl-1-hexanol Basic Attributes

Molecular Weight：

144.26

Exact Mass：

144.25

EC Number：

222-376-7

ICSC Number：

0608

NSC Number：

97226|83151

DSSTox ID：

DTXSID7029661

HScode：

29051990

Characteristics

PSA：

20.2

XLogP3：

Appearance：

Liquid

Density：

0.83 g/cm³

Melting Point：

-70 °C

Boiling Point：

193 °C

Flash Point：

80.0±0.0 °C

Refractive Index：

1.430

Water Solubility：

450.1mg/L(20 ºC)

Vapor Pressure：

0.30 mmHg

Vapor Density：

Relative vapour density (air = 1): 5.0

Physical Dangers：

The vapour is heavier than air.

Safety Information

Packing level：

Ⅲ

Transport codes：

3082

wgk germany：

hazard class code：

safety instructions：

S26-S61

Marks：

Xi: Irritant;N: Dangerous for the environment;

Storage features：

Separated from incompatible materials. See Chemical Dangers. Ventilation along the floor.

Precautionary statement(s)：

P273-P305 + P351 + P338

Hazard Statements：

H315-H319-H373-H411

Fire Hazards：

Combustible. Above 93 °C explosive vapour/air mixtures may be formed.

GHS Classification：

|Warning|H315 (63.6%): Causes skin irritation [Warning Skin corrosion/irritation]|P260, P264, P273, P280, P302+P352, P305+P351+P338, P314, P321, P332+P313, P337+P313, P362, and P501|Aggregated GHS information provided by 741 companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H227: Combustible liquid [Warning Flammable liquids]|P201, P202, P210, P260, P264, P270, P280, P281, P301+P312, P302+P352, P305+P351+P338, P308+P313, P312, P314, P321, P330, P332+P313, P337+P313, P362, P370+P378, P403+P235, P405, and P501

Fire Fighting：

Use foam, powder, carbon dioxide. In case of fire: keep drums, etc., cool by spraying with water.

Spillage Disposal：

Collect leaking and spilled liquid in sealable containers as far as possible. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations. Do NOT let this chemical enter the environment. Personal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance.

Safe Storage：

Separated from incompatible materials. See Chemical Dangers. Ventilation along the floor.

Inhalation Risk：

A harmful contamination of the air will not or will only very slowly be reached on evaporation of this substance at 20 °C.

Effects of Short Term Exposure：

The substance is irritating to the eyes and skin. The vapour is irritating to the eyes, skin and respiratory tract.

Effects of Long Term Exposure：

The substance may have effects on the liver and kidneys.

Fire Prevention：

NO open flames. NO contact with hot surfaces. Above 93 °C use a closed system, ventilation and explosion-proof electrical equipment.

Inhalation Prevention：

Use ventilation.

Skin Prevention：

Protective gloves.

Eye Prevention：

Wear safety goggles or face shield.

Drug Information

First Aid：

Fresh air, rest. Artificial respiration may be needed.

Remove contaminated clothes. Rinse and then wash skin with water and soap.

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

MeSH Entry Terms：

3,5,5-trimethyl-1-hexanol

Exposure Routes：

The substance can be absorbed into the body by inhalation of its vapour and by ingestion.

Symptoms：

Cough. Sore throat.

Redness. Roughness.

Redness. Pain.

3,5,5-Trimethyl-1-hexanol Use and Manufacturing

Methods of Manufacturing

General procedure: An oven-dried pressure tube containing a Teflon-coated stirring bar was charged with Pd(OAc)2 (11.2 mg, 5 molpercent), PCy3 (21 mg, 7.5 molpercent) and aldehyde(1 mmol).The tube was sealed, evacuated and backfilled with N2. 1 mL of dioxane was subsequently injected. After the mixture was stirred at room temperature for 15 min, H2O (180 mg, 10 equiv) and HCO2H (184 mg, 4 equiv) were injected and the reaction was heated to 90 oC for 18 h. After the reaction was completed, the solvent was removed under vacuo. The residues were purified by flash column chromatography on silica gel to afford 87 mg of benzyl alcohol in 81 percent yield.

Uses

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

Intermediates

Production

1,000,000 - 10,000,000 lb

Manufacturing Info：

All other basic organic chemical manufacturing|1-Hexanol, 3,5,5-trimethyl-: ACTIVE

Use Classification：

Food additives -> Flavoring Agents|Fatty Acyls [FA] -> Fatty alcohols [FA05]|Cosmetics -> Solvent

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:144.25
XLogP3:3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:144.151415257
Monoisotopic Mass:144.151415257
Topological Polar Surface Area:20.2
Heavy Atom Count:10
Complexity:81.2
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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

HANGZHOU LEAP CHEM CO., LTD. Contact Supplier

CN
5 YRS

Business licensed

Trader Supplier of Intermediates,Building blocks,API,Silicones,Peptides,Lab chemicals,Biochemicals,Pharmaceuticals,Screening Compounds,Food Additives

3,5,5-Trimethyl-1-hexanol

CAS No.: 3452-97-9

Content: 99.00%

Inquiry
Jinshu Peptide Co.,Ltd Contact Supplier

CN
3 YRS

Business licensed

Distributor Supplier of peptone

Most professional factory supply good price with best service 3,5,5-trimethyl-1-hexanol

CAS No.: 3452-97-9

Grade: Pharmaceutical Grade

Content: 99%

Inquiry

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Guide of 3,5,5-Trimethyl-1-hexanol

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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