1-Methylcycloheptan-1-ol

HCID 77376
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Basic information

CAS
3761-94-2
Standard SMILES
CC1(O)CCCCCC1
InChIKey
XFFKAYOHINCUNU-UHFFFAOYSA-N
Molecular formula
C8H16O
Average molar mass
128.21 g/mol
Monoisotopic mass
128.12011513

Names & identifiers

Preferred name
1-Methylcycloheptan-1-ol
IUPAC
1-methylcycloheptan-1-ol
English name
2-Methylcarbazole
Molecular formula
C8H16O
Molecular weight
128.21

Names & synonyms

1-Methylcycloheptanol3761-94-21-Methylcycloheptan-1-olCycloheptanol, 1-methyl-EINECS 223-179-9DTXSID70191050NSC 1007351Methylcycloheptan1olRefChem:434571DTXCID80113541223-179-9InChI=1/C8H16O/c1-8(9)6-4-2-3-5-7-8/h9H,2-7H2,1H
Show more names
2-Methylcarbazole1-methylcycloheptylol1-Methyllcycloheptanol
1-Methylcycloheptanol-1MFCD00021672NSC100735Methylcycloheptanol-1SCHEMBL353978SCHEMBL4980824SCHEMBL11793503DAA76194

Database identifiers

CAS
3761-94-2
PubChem CID
77376
DTXSID
DTXSID70191050
EC Number
223-179-9
Nikkaji
J217.657B

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
9

Experimental & physicochemical properties

Physical DescriptionLiquid.
Kovats Retention Index1009

Physicochemical properties

Boiling point
183.5 °C · 183.5°C (estimate)
Density
1 · 1,472 g/cm3
refractive index
1.472 · 1.4720
Water Solubility
Insoluble in water.
Symbol(GHS)
7 · GHS07
Signal word
Warning

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (88.6%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (11.4%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (11.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (11.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS] See Methylcyclohexanol.
Hazard Classes and CategoriesAcute Tox. 4 (88.6%)；Skin Irrit. 2 (11.4%)；Eye Irrit. 2 (11.4%)；STOT SE 3 (11.4%)

Toxicology

Adverse EffectsNeurotoxin - Acute solvent syndrome

Safety data

risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
safety_code
26-36/37/39
Hazard statements
H315-H319-H335
Precautionary statements
P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Chemistry & industry

Applications

Uses1-Methylcycloheptanol, is used as an pharmaceutical and chemical intermediate.

Suppliers14 total

泰州葛林美克医药科技有限公司15366892466
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
南京合巨药业有限公司025-57027686 17372956142 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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