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3,3,5-Trimethylcyclohexanol

3,3,5-Trimethylcyclohexanol structure

CAS No:
116-02-9
Formula:
C9H18O
Chemical Name:
3,3,5-Trimethylcyclohexanol
Synonyms:
Cyclohexanol,3,3,5-trimethyl-;3,3,5-Trimethylcyclohexanol;Cyclonol;1-Methyl-3-dimethyl-cyclohexanol-5;3,5,5-Trimethylcyclohexanol;NSC 4008
Categories:
Cosmetic Ingredient > Perfuming

Description

WHITE CRYSTALLINE MASS. Soluble in most organic solvents, hydrocarbons, oils; insoluble in water. Combustible. 3,3,5-Trimethyl cyclohexanol has a menthol-like camphorous odor.ChEBI: A secondary alcohol that is cyclohexanol substituted by two methyl groups at the 3-position and one methyl group at the 5-position. It exhibits inhibitory activity against HMG-CoA reductase ( EC 1.1.1.34/EC 1.1.1.88).

Liquid; OtherSolid|PelletsLargeCrystals|Solid|Colourless crystals; menthol-like camphorous odour

3,3,5-trimethylcyclohexanol is a secondary alcohol that is cyclohexanol substituted by two methyl groups at the 3-position and one methyl group at the 5-position. It exhibits inhibitory activity against HMG-CoA reductase ( EC 1.1.1.34/EC 1.1.1.88). It has a role as an EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor. It is a member of cyclohexanols and a secondary alcohol.

3,3,5-Trimethylcyclohexanol Basic Attributes

Molecular Weight：

142.24

Exact Mass：

142.24

EC Number：

204-122-7

UNII：

08CL3G94GH

NSC Number：

4008

DSSTox ID：

DTXSID9041815

Color/Form：

LIQ

HScode：

2906 19 00

Characteristics

PSA：

20.2

XLogP3：

2.6

Appearance：

Liquid; OtherSolid

Density：

0.878 g/cm³ @ Temp: 40 °C

Melting Point：

37.0 °C

Boiling Point：

198 °C

Flash Point：

81 °C

Refractive Index：

1.4559 (estimate)

Water Solubility：

H2O: 1.8 g/L (20 ºC);SLIGHTLY SOL IN WATER

Vapor Pressure：

1 hPa (50 °C)

Vapor Density：

4.9 (AIR= 1)

Toxicity：

LD50 orally in Rabbit: 3250 mg/kg LD50 dermal Rabbit 2430 mg/kg

Explosive limit：

1.5%(V)

Safety Information

wgk germany：

WGK 1 slightly water endangering

hazard class code：

safety instructions：

39-26

RTECS Number：

GW0875000

Marks：

Precautionary statement(s)：

P264, P273, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362, P501

Hazard Statements：

H315

Hazardous Reactivities：

MODERATELY DANGEROUS; CAN REACT WITH OXIDIZING MATERIALS.

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|Aggregated GHS information provided by 130 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|P264, P273, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362, and P501|Aggregated GHS information provided by 1645 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|Aggregated GHS information provided by 26 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Fire Potential：

MODERATE, WHEN EXPOSED TO HEAT OR FLAME.

Fire Fighting Procedures：

WATER, FOAM, CARBON DIOXIDE, DRY CHEM...

Drug Information

Reported Fatal Dose：

SEE CYCLOHEXANOL. TOXICITY RATING: 3. 3= MODERATELY TOXIC: PROBABLE ORAL LETHAL DOSE (HUMAN) 0.5-5 G/KG, BETWEEN 1 OZ & 1 PINT (OR 1 LB) FOR 70 KG PERSON (150 LB). /CYCLOHEXANOL/

Human Toxicity Excerpts：

SEE CYCLOHEXANOL. VAPOR IS IRRITATING. IN A SUSPECTED CLINICAL POISONING DUE TO INHALATION OF VAPOR, NAUSEA & TREMORS WERE PROMINENT. /CYCLOHEXANOL/

MeSH Entry Terms：

3,3,5-trimethylcyclohexanol

3,3,5-Trimethylcyclohexanol Use and Manufacturing

Methods of Manufacturing

1, 5, 5-trimethylcyclohexene-3-one was obtained by reduction.

Uses

Menthol and camphor substitute, antifoamingagent, hydraulic fluids and textile soaps, odor masking,esterification agent, pharmaceuticals,wax additive,printing inks.Intermediate of cyclomandelate. It is an intermediate for the synthesis of cyclomandelic acid ester, as well as an intermediate for the synthesis of new plasticizers, lubricants, dinitriles, diamines and alcohols.

Odor agents

Personal care products

Production

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

Manufacturing Info：

All other chemical product and preparation manufacturing|Cyclohexanol, 3,3,5-trimethyl-: ACTIVE|Fragrances|Cyclohexanol, 3,3,5-trimethyl-, (1R,5R)-rel-: ACTIVE|Cyclohexanol, 3,3,5-trimethyl-, (1R,5S)-rel-: ACTIVE

Use Classification：

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:142.24
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Exact Mass:142.135765193
Monoisotopic Mass:142.135765193
Topological Polar Surface Area:20.2
Heavy Atom Count:10
Complexity:118
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Carbon dioxide

Acetic acid

Isopropanol

Isophorone

Recommended Suppliers of 3,3,5-Trimethylcyclohexanol

Greenbo Biochem Contact Supplier

CN
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3,3,5-Trimethylcyclohexanol 99% Pharm Intermediate Professional Producer Greenbo

CAS No.: 116-02-9

Grade: Pharmaceutical Grade

Content: 99%

Inquiry
Guangzhou Yaoguang Technology Co., Ltd. Contact Supplier

CN
5 YRS

Business licensed Certified factory

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3,3,5-Trimethylcyclohexanol, CAS:116-02-9

Unit Price: $8-9 /G FOB

CAS No.: 116-02-9

Grade: Reagent Grade

Content: 99%

Inquiry
Henan Lihao Chem Plant Limited Contact Supplier

CN
5 YRS

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Trader Supplier of PVC resin,pvc paste resin,melamine

3,3,5-Trimethylcyclohexanol 99% see COA kanbei

CAS No.: 116-02-9

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NANTONG REFORM PETRO-CHEMICAL CO.,LTD Contact Supplier

CN
4 YRS

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3,3,5-Trimethylcyclohexanol

CAS No.: 116-02-9

Grade: Industrial Grade

Content: 99%

Inquiry

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Guide of 3,3,5-Trimethylcyclohexanol

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Material
Recommended Suppliers
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3,3,5-Trimethylcyclohexanol

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