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2-Methylcyclohexanol

HCID 11418
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GrundinformationenÜberblickNamen und BezeichnerEigenschaftenSicherheit und RegulatorischesChemie und IndustrieZugehörige ReaktionenNotizen zur Verbindung
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Grundinformationen

CAS
19043-02-8
Standard-SMILES
CC1CCCCC1O
InChIKey
NDVWOBYBJYUSMF-UHFFFAOYSA-N
Summenformel
C7H14O
Durchschnittliche Molmasse
114,19 g/mol
Monoisotopische Masse
114,10446507

Überblick

Straw-colored liquid with a weak odor of coconut oil. Less dense than water and insoluble in water. Hence floats on water. (USCG, 1999)

Namen und Bezeichner

Bevorzugter Name
2-Methylcyclohexanol
IUPAC
2-methylcyclohexan-1-ol
Lokaler Name
2-Methylcyclohexanol
Englischer Name
2-Methylcyclohexanol
Summenformel
C7H14O
Molmasse
114.19

Namen und Synonyme

2-METHYLCYCLOHEXANOL583-59-52-methylcyclohexan-1-olCyclohexanol, 2-methyl-o-Methylcyclohexanol1-Methyl-2-cyclohexanol2-Methyl-1-cyclohexanol2-Methylcyclohexyl alcoholCyclohexanol, o-methyl-Hexahydro-o-cresolMFCD00001443NSC 75845
Weitere Namen anzeigen
2-metilcicloesanoneo-methyl-cyclohexano2-methyl-cyclohexano
(1R, 2S)-2-Methylcyclohexanol615-39-42-Methylhexalin19043-02-82-Methyl-cyclohexanolEINECS 209-512-0(1R,2S)-2-methylcyclohexanolBRN 1847535

Datenbank-Bezeichner

CAS
19043-02-8、583-59-5、615-39-4、7443-52-9、7443-70-1
PubChem CID
11418
DTXSID
DTXSID90862235
ChEMBL
CHEMBL1946181
EC Number
803-382-4
Nikkaji
J3.300F

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,8
Polarare Oberfläche (TPSA)
20,2 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
0
Schwere Atome
8
Formalladung
0
Komplexität
70,8

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesBoiling point
LogP1.84
Density · 2 Einträge

0.93 (USCG, 1999) - Less dense than water; will float

Relative density (water = 1): 0.93

SolubilitySolubility in water: poor
Flash Point · 2 Einträge

138 °F (USCG, 1999)

58 °C c.c.

Boiling Point · 2 Einträge

325.4 to 330.8 °F at 760 mmHg (USCG, 1999)

165-166 °C

Melting Point · 2 Einträge

less than -6 °F (USCG, 1999)

-9.5 °C

Vapor DensityRelative vapor density (air = 1): 3.9
Physical Description · 2 Einträge

Straw-colored liquid with a weak odor of coconut oil. Less dense than water and insoluble in water. Hence floats on water. (USCG, 1999)

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

GHS-Klassifizierung

GHS Classification · 6 Einträge

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264+P265, P271, P280, P303+P361+P353, P304+P340, P305+P354+P338, P317, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H226: Flammable liquid and vapor [Warning Flammable liquids]

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: Cyclohexanol, 2-methyl-

2-Methylcyclohexanol: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to human health
DOT LabelFlammable Liquid
Fire Hazards · 2 Einträge

Special Hazards of Combustion Products: Irritating vapors and toxic gases, such as carbon monoxide, may be formed when involved in fire. (USCG, 1999)

Flammable. Above 58 °C explosive vapour/air mixtures may be formed.

Health HazardsMay cause headache and irritation of the eyes, nose and throat. Prolonged or repeated contact may cause a skin rash. (USCG, 1999)
Reactive GroupAlcohols and Polyols
EC Classification

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationCyclohexanol, 2-methyl-: ACTIVE

Anwendungen

Verwenden2-Methylcyclohexanol is used in the preparation of acetic acid-(2-methyl-cyclohexyl ester) by reaction with acetic anhydride. Further, it is used to study the effect of organic solvents on epoxide hydrolase.

Vor- und nachgelagerte Produkte

Nachgelagerte Produkte

1-Methylcyclohexan-1-carbonsure2-Methylcyclohexanone semicarbazone

Anbieter48 Anbieter

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
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武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
陕西缔都化学有限公司

Zugehörige Reaktionen

14
Reaktionsaufzeichnung erstellen
Reaktionsgleichung von HRID 188895
HRID 188895als EduktTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaktionsgleichung von HRID 302051
HRID 302051als EduktTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaktionsgleichung von HRID 938547
HRID 938547als EduktValidation data from https://doi.org/10.1039/C8SC04228D
Reaktionsgleichung von HRID 988925
HRID 988925als Eduktuspto-grants-2003_10
Reaktionsgleichung von HRID 1039583
HRID 1039583als Eduktuspto-grants-2013_10
Reaktionsgleichung von HRID 1079086
HRID 1079086als Eduktuspto-grants-1996_08
Reaktionsgleichung von HRID 1133557
HRID 1133557als EduktTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaktionsgleichung von HRID 1136559
HRID 1136559als EduktTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
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COLOURLESS VISCOUS LIQUID WITH CHARACTERISTIC ODOUR.

Autoignition Temperature · 2 Einträge

565 °F (USCG, 1999)

296 °C

Physikochemische Eigenschaften

Schmelzpunkt
-38 °C · -38 °C
Siedepunkt
171 · 171-173 °C(lit.)
Dichte
0.93 g/mL · 0.93 g/mL at 25 °C(lit.)
Brechungsindex
20 · n20/D 1.463
Flammpunkt
138 °F · 138 °F
Aggregatzustand
Liquid
pka
15.33 · 15.33±0.40(Predicted)
Wichte
0.93 · 0.930 (20/4℃)
Farbe
Clear colorless
Geruch (Odor)
100 % · at 100.00%. mild coconut oil
Wasserlöslichkeit
slightly soluble
BRN
1847535 · 1847535
Henry's Law Constant
1.4 · 1.4×100 mol/(m3Pa) at 25℃, Chao et al. (2017)
Dielectric constant
13.5 · 13.5
Stabilität
Stable. Combustible. Incompatible with strong oxidizing agents.
InChI
1S/C7H14O/c1-6-4-2-3-5-7(6)8/h6-8H,2-5H2,1H3
InChIKey
NDVWOBYBJYUSMF-UHFFFAOYSA-N
SMILES
CC1CCCCC1O
LogP
1.818 · 1.818 (est)
CAS Datenbank
583 · 583-59-5(CAS DataBase Reference)
NIST chemische Informationen
2 · Cyclohexanol, 2-methyl-(583-59-5)
EPA chemische Informationen
2 · Cyclohexanol, 2-methyl- (583-59-5)
Symbol: Xn; R: 20; S: (2)-24/25; Note: C
UN ClassificationUN Hazard Class: 3; UN Pack Group: III
Reactivity Profile · 1 Eintrag

2-METHYLCYCLOHEXANOL is an alcohol. Flammable and/or toxic gases are generated by the combination of these materials with alkali metals, nitrides, and strong reducing agents. Contact with strong oxidizers may cause fires and explosions. They react with oxoacids and carboxylic acids to form esters plus water. Oxidizing agents convert them to aldehydes or ketones. They exhibit both weak acid and weak base behavior. They may initiate the polymerization of isocyanates and epoxides. Special Hazards of Combustion Products: Irritating vapors and toxic gases, such as carbon monoxide, may be formed when involved in fire (USCG, 1999).

Air and Water ReactionsInsoluble in water.
Hazard Classes and Categories · 2 Einträge

Flam. Liq. 3 (100%)

Flammable liquids - Category 3

Sicherheit und Schutzausrüstung

Fire Fighting · 2 Einträge

Fire Extinguishing Agents Not to Be Used: Water.

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

First Aid Measures · 4 Einträge

Fresh air, rest. Refer for medical attention.

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.

Rinse mouth. Refer for medical attention .

First AidGet medical attention.
Safe StorageFireproof.
Nonfire Spill ResponseExcerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
Spillage Disposal · 1 Eintrag

Personal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. Remove all ignition sources. 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.

Isolation and EvacuationExcerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
Eye PreventionWear safety spectacles.
Fire PreventionNO open flames, NO sparks and NO smoking. Above 58 °C use a closed system and ventilation.
Inhalation RiskA harmful contamination of the air will not or will only very slowly be reached on evaporation of this substance at 20 °C.
Skin PreventionProtective gloves.
Ingestion PreventionDo not eat, drink, or smoke during work.

Toxikologische Informationen

Exposure RoutesThe substance can be absorbed into the body by inhalation of its vapour and by ingestion.
Signs and Symptoms · 3 Einträge

Cough. Headache.

Redness.

Redness.

Sicherheitsdaten

wgk
1
tsca
TSCA listed
ridadr
UN 2617 3/PG 3
hs_code
29061200
RTECS-Nr.
GW0220000
risk_code
20-36-20/22
hazard_code
Xn
safety_code
24/25
hazard_class
3
packing_group
III
Speicherklasse
3 - Flammable liquids
Hazard Classifications
Acute Tox. 4 OralFlam. Liq. 3
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