Cycloheptanemethanol

HCID 78193

Notes Reactions

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Basic information

CAS: 4448-75-3
Standard SMILES: OCC1CCCCCC1
InChIKey: BMCQFFXPECPDPS-UHFFFAOYSA-N
Molecular formula: C8H16O
Average molar mass: 128.21 g/mol
Monoisotopic mass: 128.12011513

Names & identifiers

Preferred name: Cycloheptanemethanol
IUPAC: cycloheptylmethanol
English name: (Hydroxymethyl)cycloheptane
Molecular formula: C8H16O
Molecular weight: 128.21

Names & synonyms

CycloheptylmethanolCycloheptanemethanol4448-75-3(HYDROXYMETHYL)CYCLOHEPTANEJ6W9ERA3AMEINECS 224-691-5BMCQFFXPECPDPS-UHFFFAOYSA-DTXSID30196187RefChem:129507DTXCID40118678224-691-5BMCQFFXPECPDPS-UHFFFAOYSA-N

Show more names

CYCLOHEPTYL CARBINOLCycloheptylmethanol - [C70516](HYDROXYMETHYL)CYCLOHEPTANE ISO 9001：2015 REACH

InChI=1/C8H16O/c9-7-8-5-3-1-2-4-6-8/h8-9H,1-7H2MFCD00004154cycloheptyl-methanolUNII-J6W9ERA3AMAS-57269SY150654CS-0144557A11790

Database identifiers

CAS: 4448-75-3
PubChem CID: 78193
DTXSID: DTXSID30196187
UNII: J6W9ERA3AM
EC Number: 224-691-5
Nikkaji: J205.837E

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 63

Physicochemical properties

Boiling point: 213 °C · 213°C 714mm
Density: 0.9315 g/cm3 · 0.9315 g/cm3
storage temp.: 2 · Storage temp. 2-8°C
pka: 15.05 · 15.05±0.10(Predicted)
Appearance: Light yellow to yellow Liquid
LogP: 2.319 · 2.319 (est)
FDA UNII: 6 W9ERA3AM · J6W9ERA3AM
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H335-H315
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 26-36/37/39
Hazard statements: H319-H335-H315
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362