1-メチルシクロヘプタノール

1-Methylcycloheptan-1-ol

HCID 77376
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基本情報

CAS
3761-94-2
標準SMILES
CC1(O)CCCCCC1
InChIKey
XFFKAYOHINCUNU-UHFFFAOYSA-N
分子式
C8H16O
平均分子量
128.21 g/mol
単同位体質量
128.12011513

名称と識別子

優先名称
1-Methylcycloheptan-1-ol
IUPAC
1-methylcycloheptan-1-ol
現地名
1-メチルシクロヘプタノール
英語名
2-Methylcarbazole
分子式
C8H16O
分子量
128.21

名称と別名

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
名称をさらに表示
1-メチルシクロヘプタノール1-メチルシクロヘプタン-1-オール2-Methylcarbazole1-methylcycloheptylol1-Methyllcycloheptanol
1-Methylcycloheptanol-1MFCD00021672NSC100735Methylcycloheptanol-1SCHEMBL353978SCHEMBL4980824SCHEMBL11793503DAA76194

データベース識別子

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

物性

構造計算による物性

XLogP
1.9
極性表面積
20.2 Ų
水素結合供与体数
1
水素結合受容体数
1
回転可能結合数
0
重原子数
9

実験および物理化学的性質

Physical DescriptionLiquid.
Kovats Retention Index1009

物理化学的性質

沸点
183.5 °C · 183.5°C (estimate)
比重(密度)
1 · 1,472 g/cm3
屈折率
1.472 · 1.4720
水溶解度
水に不溶。

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

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%)

毒性情報

Adverse EffectsNeurotoxin - Acute solvent syndrome

安全データ

risk_code
36/37/38
safety_code
26-36/37/39

化学と産業

応用分野

使用1-Methylcycloheptanol, is used as an pharmaceutical and chemical intermediate.

サプライヤー14 社

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]

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