3a,4,5,6,7,7a-ヘキサヒドロ-4,7-メタノ-1H-インデン-5-オール

Cydecanol

HCID 94137
ノート反応
部分構造検索類似構造を探す

基本情報

CAS
133-21-1
標準SMILES
OC1CC2CC1C1C=CCC21
InChIKey
LDUKQFUHJZHLRC-UHFFFAOYSA-N
分子式
C10H14O
平均分子量
150.22 g/mol
単同位体質量
150.10446507

概要

See also: 4,7-Methano-1H-indenol, hexahydro- (annotation moved to); Hexahydro-4,7-methano-1H-indenol (annotation moved to).

名称と識別子

優先名称
Cydecanol
IUPAC
tricyclo[5.2.1.02,6]dec-4-en-8-ol
現地名
3a,4,5,6,7,7a-ヘキサヒドロ-4,7-メタノ-1H-インデン-5-オール
英語名
3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-5-ol
分子式
C10H14O
分子量
150.22

名称と別名

3a,4,5,6,7,7a-Hexahydro-4,7-methano-1H-inden-5-ol133-21-1CydecanolDicyclopentadiene alcoholEINECS 205-099-6NSC 224634,7-Methanoinden-5-ol, 3a,4,5,6,7,7a-hexahydro-DTXSID608653394,7-Methano-1H-inden-5-ol, 3a,4,5,6,7,7a-hexahydro-4,7-Methanoinden-5-ol, 3a,4,5,6,7,7a-hexahydro-, exo-RefChem:581329DTXCID60813759
名称をさらに表示
3a,4,5,6,7,7a-ヘキサヒドロ-4,7-メタノ-1H-インデン-5-オールトリシクロ[5.2.1.02,6]デカ-4-エン-8-オール3a,4,5,6,7,7a-Hexahydro-exo-4,7-methanoinden-5-ol3a,4,5,6,7,7a-hexahydro- 4,7-methano-1H-inden-5-o5-Hydroxy-3a,4,5,6,7,7a-hexahydro-4,7-methanoindene133-21-1 3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-5-ol C10H14O
4,7-Methanoinden-5-ol, 3a,4,5,6,7,7a-hexahydro-, exo-(8CI)205-099-6tricyclo[5.2.1.02,6]dec-4-en-8-ol37275-49-3SCHEMBL8211028(9)-Hydroxy-tricyclo[5.2.1.0(2,6)]dec-3-eneCS-M0213NSC22463

データベース識別子

CAS
133-21-1
PubChem CID
94137
DTXSID
DTXSID60865339
EC Number
205-099-6
Nikkaji
J184.382F

物性

構造計算による物性

XLogP
1.6
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
11

物理化学的性質

融点
97 · 97-98℃
沸点
116 · 116-118℃ (10 Torr)
比重(密度)
1.157 · 1.157±0.06 g/cm3(Predicted)
屈折率
1.5065 · 1.5065 (589.3 nm 20℃)
酸解離定数(Pka)
15.02 · 15.02±0.20(Predicted)
InChI
InChI=1S/C10H14O/c11-10-5-6-4-9(10)8-3-1-2-7(6)8/h1,3,6-11H,2,4-5H2
化学的性質 · 1 件

化学的特性3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-inden-5-ol, molecular weight: 150.22, boiling point: 245.90 °C. @ 760.00 mm Hg; flash point: 194.00 °F. TCC ( 90.20 °C.); logP (o/w): 1.730; a vapour pressure: 1.03 Pa (0.00772 mm Hg); soluble in water ( 6552 mg/L @ 25 °C); store at 2~8 °C.

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 1.9% (1 of 52) of reports.

Warning

H302 (98.1%): Harmful if swallowed [Warning Acute toxicity, oral]

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 52 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 2 件

Chemical: 4,7-Methano-1H-inden-5-ol, 3a,4,5,6,7,7a-hexahydro-

4,7-Methano-1H-inden-5-ol, 3a,4,5,6,7,7a-hexahydro-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesAcute Tox. 4 (98.1%)

安全データ

tsca
TSCA listed

化学と産業

用途と製造

General Manufacturing Information4,7-Methano-1H-inden-5-ol, 3a,4,5,6,7,7a-hexahydro-: ACTIVE

サプライヤー16 社

杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Anhui Xunrui Chemical Co., Ltd+86-18130097396 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
雷丁试剂0510-85629785 18013409632 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]

関連反応

2 件
反応記録を作成

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