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1-Methylcyclohexanol

1-Methylcyclohexanol structure

CAS No:
590-67-0
Formula:
C7H14O
Chemical Name:
1-Methylcyclohexanol
Synonyms:
Cyclohexanol,1-methyl-;1-Methylcyclohexanol;1-Methyl-1-cyclohexanol;1-Hydroxy-1-methylcyclohexane;1-Methylcyclohexyl alcohol;NSC 1247
Categories:
Specialty Chemicals

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Description

clear colorless to light yellow liquid

Solid|WHITE SOLID OR CLEAR COLOURLESS LIQUID.

1-Methylcyclohexanol is a tertiary alcohol.

1-Methylcyclohexanol Basic Attributes

Molecular Weight：

114.19

Exact Mass：

114.19

EC Number：

209-688-9

ICSC Number：

0293

NSC Number：

1247

DSSTox ID：

DTXSID00207739

HScode：

2906120010

Characteristics

PSA：

20.2

XLogP3：

1.3

Appearance：

Solid

Density：

0.92 g/cm³

Melting Point：

25 °C

Boiling Point：

155 °C

Flash Point：

67°C

Refractive Index：

1.459-1.461

Storage Conditions：

Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Vapor Pressure：

1.13 mmHg

Safety Information

Packing level：

Ⅱ

Transport codes：

1325

wgk germany：

hazard class code：

4.1

safety instructions：

26-36/37/39-38-36-23

Marks：

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P210, P240, P241, P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P370+P378, P403+P233, P405, P501

Hazard Statements：

H228

RIDADR：

UN 1325

Fire Hazards：

Combustible. Above 67 °C explosive vapour/air mixtures may be formed.

GHS Classification：

|Warning|H228 (89.58%): Flammable solid [Danger Flammable solids]|P210, P240, P241, P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P370+P378, P403+P233, P405, and P501|Aggregated GHS information provided by 48 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Fire Fighting：

Use powder, AFFF, foam, carbon dioxide.

Spillage Disposal：

Collect leaking and spilled liquid in sealable containers as far as possible. If solid: sweep spilled substance into containers. If appropriate, moisten first to prevent dusting.

Fire Prevention：

NO open flames. Above 67 °C use a closed system and ventilation.

Drug Information

First Aid：

Fresh air, rest.

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.

Analysis Methods

Name	Column Shape	Active Phase(℃)	Retention index	Temperature Control	Method	Comments	Reference
Kovats' RI, non-polar column, isothermal	Packed	Apiezon L	918.	130.	isothermal	Chromosorb W AW	Paris, C.Alexandre, P.Stereochemical Investigation of Cyclohexane and Terpene Compounds by Gas ChromatographyJ. Chromatogr. Sci.1972, 10, 6, 402-411.
Kovats' RI, non-polar column, isothermal	Packed	Apiezon L	882.	130.	isothermal	Celite; Column length: 2.25 m	Wehrli, A.Kováts, E.Gas-chromatographische Charakterisierung ogranischer Verbindungen. Teil 3: Berechnung der Retentionsindices aliphatischer, alicyclischer und aromatischer VerbindungenHelv. Chim. Acta1959, 7, 7, 2709-2736.
Kovats' RI, non-polar column, isothermal	Capillary	OV-1	868.		temperature ramp	50. m/0.32 mm/0.52 μm, H2, 1. K/min; T_start: 30. C	Guan, Y.Zheng, P.Zhou, L.Prediction, optimization of separation, and identification of unknown compounds in capillary gas chromatographyJ. Hi. Res. Chromatogr.1992, 15, 1, 18-23.

Computed Properties

Molecular Weight:114.19
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Exact Mass:114.104465066
Monoisotopic Mass:114.104465066
Topological Polar Surface Area:20.2
Heavy Atom Count:8
Complexity:72.5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route

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