CAS 100-49-2 Cyclohexanemethanol (HCID 7507)

Overview

structure

Names & identifiers

Preferred name: Cyclohexanemethanol
IUPAC: cyclohexylmethanol
English name: Cyclohexanemethanol
Molecular formula: C7H14O
Molecular weight: 114.19

Names & synonyms

CYCLOHEXANEMETHANOLCyclohexylmethanol100-49-2CyclohexylcarbinolCyclohexanecarbinolHexahydrobenzyl alcoholCyclohexylmethyl alcoholHydroxymethylcyclohexane4VDR6634UGNSC-5288DTXSID3059212RefChem:129720

Show more names

NSC 5288usafdo-492 ampules)Hexyl MethanolohexanemethanoLCyclohexylmethanecyclohexyl-methano

DTXCID4032453202-857-8Methanol, cyclohexyl-Benzyl alcohol, hexahydro-USAF DO-49(Hydroxymethyl)cyclohexaneMFCD00001510Cyclohexyl methanol

Database identifiers

CAS: 100-49-2
PubChem CID: 7507
DTXSID: DTXSID3059212
UNII: 4VDR6634UG
EC Number: 202-857-8
Nikkaji: J46.539I

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 8
Formal charge: 0
Complexity: 55.4

Experimental & physicochemical properties

PolymersOther Classes -> Alcohols and Polyols, Other

SpringerMaterials PropertiesDielectric constant

Physical DescriptionLiquid with a mild camphor odor; [Merck Index] Colorless viscous liquid; [Alfa Aesar MSDS]

Physicochemical properties

Melting point: -43 °C · -43°C
Boiling point: 181 °C · 181 °C (lit.)
Density: 0.928 g/mL · 0.928 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.465(lit.)
Flash point: 160 °F · 160 °F
storage temp.: 30 °C · Store below +30°C.
solubility: Soluble in Ether, Alcohols.
pka: 15.17 · 15.17±0.10(Predicted)
form: Oil
color: Colourless
Merck: 14 · 14,2731
BRN: 773712 · 773712
Dielectric constant: 9.7 · 9.7(60℃)
InChI: 1S/C7H14O/c8-6-7-4-2-1-3-5-7/h7-8H,1-6H2
InChIKey: VSSAZBXXNIABDN-UHFFFAOYSA-N
SMILES: OCC1CCCCC1
CAS DataBase Reference: 100 · 100-49-2(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 4 VDR6634UG · 4VDR6634UG
NIST Chemistry Reference: Cyclohexanemethanol(100-49-2)
EPA Substance Registry System: Cyclohexanemethanol (100-49-2)
UNSPSC Code: 41116107 · 41116107
NACRES: 24 · NA.24
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 227 · H227
Precautionary statements: 210 · P210-P280-P370+P378-P403+P235-P501-P210e-P280a-P370+P378a-P501a
PPE: Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
Safety Statements: 23 · 23-24/25
WGK Germany: 1 · 1
RTECS: 5075000 · GV5075000
Autoignition Temperature: 330 °C · 330 °C
TSCA: TSCA listed
HS Code: 29061900 · 29061900
Storage Class: 10 · 10 - Combustible liquids

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 2.6% (1 of 39) of reports.

Warning

H315 (97.4%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Chemical: Cyclohexanemethanol

Cyclohexanemethanol: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryIntraperitoneal LD50 (mouse) = 250 mg/kg; [RTECS] May cause irritation; [Alfa Aesar MSDS] See 2-Cyclohexylethanol.

Hazard Classes and CategoriesSkin Irrit. 2 (97.4%)

Safety data

PPE: Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
wgk: 1
tsca: TSCA listed
rtecs: GV5075000
hs_code: 29061900
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 23-24/25
Storage Class: 10 - Combustible liquids
Hazard statements: H227
Autoignition Temperature: 330 °C
Precautionary statements: P210-P280-P370+P378-P403+P235-P501-P210e-P280a-P370+P378a-P501a

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationCyclohexanemethanol: ACTIVE

Applications · 3 items

DescriptionCyclohexanemethanol is a cycloalkanol compound primarily used in organic synthesis for the preparation of other heterocyclic compounds. Under the action of a CaO catalyst (pre-calcined at 300°C), cyclohexanemethanol can be employed in ester exchange reactions to produce various fine chemicals, and is also utilised in the synthesis of polyester compounds.

UsesCyclohexanemethanol used as solvents, fuels . It is also used in pharmaceuticals, plasticizers, surfactants, lubricants, ore floatation agents, hydraulic fluids, and detergents.

UsesCyclohexanemethanol (Cyclohexyl methanol) can be used as a starting material for the synthesis of cyclohexanecarboxaldehyde, cyclohexanecarboxylic acid, cyclohexanone, and 1,4-cyclohexadione by photocatalytic oxidation (PCO) using titanium dioxide nanoparticles as a catalyst.