化工社化工社化学情報印刷レポート · 研究参考用

HCID 20739作成日：2026年11月4日

trans-4-イソプロピルシクロヘキサノール

trans-4-イソプロピルシクロヘキサノール · Ccris 8052 · trans-4-Isopropylcyclohexanol · trans-4-Isopropylcyclohexanol>trans-4-(1-Methylethyl)cyclohexanol · trans-4-isopropylcyclohexanol - [K83290] · Cyclohexanol, 4-(1-methylethyl)-, trans-

https://huagongshe.com/ja/chemical/20739

識別子と物理属性

CAS No.	15890-36-5
分子式	C9H18O
平均分子量	142.24 g/mol
単同位体質量	142.13576519 g/mol
SMILES	CC(C)C1CCC(O)CC1
InChIKey	DKKRDMLKVSKFMJ-UHFFFAOYSA-N
PubChem CID	20739
ChEMBL	CHEMBL3187028
EC No.	225-035-0
DTXSID	DTXSID2047149
現地名	trans-4-イソプロピルシクロヘキサノール

化学・物理的性質

XLogP	2.6
極性表面積	20.2
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	1
重原子数	10
形式電荷	0
複雑度	90
Kovats Retention Index	1173116516511683
融点	6°C(lit.)
沸点	94°C/5mmHg(lit.)
密度	0.9150
屈折率	1.4640 to 1.4680
pKa（酸解離定数）	15.30±0.40(Predicted)
外観・状態	clear liquid
色	Colorless to Almost colorless
InChI	InChI=1S/C9H18O/c1-7(2)8-3-5-9(10)6-4-8/h7-10H,3-6H2,1-2H3/t8-,9-
InChIKey	DKKRDMLKVSKFMJ-KYZUINATSA-N
SMILES	[C@@H]1(O)CC[C@@H](C(C)C)CC1
CAS データベース	15890-36-5

安全性と法規制

GHS 分類	DangerH318 (97.6%): Causes serious eye damage [Danger Serious eye damage/eye irritation]P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)Aggregated GHS information provided per 1596 reports by companies from 4 notifications to the ECHA C&L Inventory.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.
規制情報	Chemical: Cyclohexanol, 4-(1-methylethyl)-Status: Active Update: 02-06-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19659Cyclohexanol, 4-(1-methylethyl)-: Does not have an individual approval but may be used under an appropriate group standard
その他の安全情報	Evaluation - Chemicals that are unlikely to require further regulation to manage risks to human health
Hazard Classes and Categories	Eye Dam. 1 (97.6%)
税関コード	2906.19.5000
化審法	(3)-2301
消防法	危-4-3-III

CAS No.

15890-36-5

分子式

C9H18O

平均分子量

142.24 g/mol

単同位体質量

142.13576519 g/mol

SMILES

CC(C)C1CCC(O)CC1

InChIKey

DKKRDMLKVSKFMJ-UHFFFAOYSA-N

PubChem CID

20739

ChEMBL

CHEMBL3187028

EC No.

225-035-0

DTXSID

DTXSID2047149

現地名

trans-4-イソプロピルシクロヘキサノール

化学・物理的性質

XLogP

2.6

極性表面積

20.2

水素結合供与体数

水素結合受容体数

回転可能結合数

重原子数

形式電荷

複雑度

Kovats Retention Index

1173116516511683

融点

6°C(lit.)

沸点

94°C/5mmHg(lit.)

密度

0.9150

屈折率

1.4640 to 1.4680

pKa（酸解離定数）

15.30±0.40(Predicted)

外観・状態

clear liquid

色

Colorless to Almost colorless

InChI

InChI=1S/C9H18O/c1-7(2)8-3-5-9(10)6-4-8/h7-10H,3-6H2,1-2H3/t8-,9-

InChIKey

DKKRDMLKVSKFMJ-KYZUINATSA-N

SMILES

[C@@H]1(O)CC[C@@H](C(C)C)CC1

CAS データベース

15890-36-5

安全性と法規制

GHS 分類

DangerH318 (97.6%): Causes serious eye damage [Danger Serious eye damage/eye irritation]P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)Aggregated GHS information provided per 1596 reports by companies from 4 notifications to the ECHA C&L Inventory.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.

規制情報

Chemical: Cyclohexanol, 4-(1-methylethyl)-Status: Active Update: 02-06-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19659Cyclohexanol, 4-(1-methylethyl)-: Does not have an individual approval but may be used under an appropriate group standard

その他の安全情報

Evaluation - Chemicals that are unlikely to require further regulation to manage risks to human health

Hazard Classes and Categories

Eye Dam. 1 (97.6%)

税関コード

2906.19.5000

化審法

(3)-2301

消防法

危-4-3-III