Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용

HCID 20739생성일: 2026년 11월 3일

4-이소프로필시클로헥산올

4-이소프로필시클로헥산올 · 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/ko/chemical/20739

식별자 및 물리적 특성

CAS No.	15890-36-5
분자식	C9H18O
평균 분자량	142.24 g/mol
단동위원소 질량	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
현지명	4-이소프로필시클로헥산올

화학 및 물리적 성질

XLogP	2.6
극성 표면적	20.2
수소 결합 공여자 수	1
수소 결합 수용자 수	1
회전 가능 결합 수	1
무거운 원자 수	10
형식 전하	0
복잡도	90
Kovats Retention Index	1173116516511683
녹는점	6°C(lit.)
끓는 점	94°C/5mmHg(lit.)
밀도	0.9150
굴절률	1.4640 to 1.4680
pKa(산도 계수)	15.30±0.40(Predicted)
물리적 상태	투명한 액체
색상	무색 내지 거의 무색
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

안전 및 규제

GHS 분류	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.
규제 정보	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
기타 안전 정보	Evaluation - Chemicals that are unlikely to require further regulation to manage risks to human health
Hazard Classes and Categories	Eye Dam. 1 (97.6%)
관세 코드	2906.19.5000

CAS No.

15890-36-5

분자식

C9H18O

평균 분자량

142.24 g/mol

단동위원소 질량

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

현지명

4-이소프로필시클로헥산올

화학 및 물리적 성질

XLogP

2.6

극성 표면적

20.2

수소 결합 공여자 수

수소 결합 수용자 수

회전 가능 결합 수

무거운 원자 수

형식 전하

복잡도

Kovats Retention Index

1173116516511683

녹는점

6°C(lit.)

끓는 점

94°C/5mmHg(lit.)

밀도

0.9150

굴절률

1.4640 to 1.4680

pKa(산도 계수)

15.30±0.40(Predicted)

물리적 상태

투명한 액체

색상

무색 내지 거의 무색

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

안전 및 규제

GHS 분류

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.

규제 정보

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

기타 안전 정보

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

Hazard Classes and Categories

Eye Dam. 1 (97.6%)

관세 코드

2906.19.5000