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1-Methylcycloheptanol

1-Methylcycloheptanol structure

CAS No:
3761-94-2
Formula:
C8H16O
Chemical Name:
1-Methylcycloheptanol
Synonyms:
Cycloheptanol,1-methyl-;1-Methylcycloheptanol;1-Methyl-1-cycloheptanol;NSC 100735
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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1-Methylcycloheptanol Basic Attributes

Molecular Weight：

128.21200

Exact Mass：

128.21

EC Number：

223-179-9

NSC Number：

100735

DSSTox ID：

DTXSID70191050

HScode：

2906199090

Characteristics

PSA：

20.23000

XLogP3：

2.09160

Density：

0.918g/cm3

Boiling Point：

183.5 °C

Flash Point：

71.6ºC

Refractive Index：

1.463

Water Solubility：

Insoluble in water.

Safety Information

hazard class code：

36/37/38

safety instructions：

26-36/37/39

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (88.37%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 43 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:128.21
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Exact Mass:128.120115130
Monoisotopic Mass:128.120115130
Topological Polar Surface Area:20.2
Heavy Atom Count:9
Complexity:80.6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes