HuagongsheHuagongshe Chemistry Print Report · For research reference only

HCID 20739Generated: October 27, 2026

4-Isopropylcyclohexanol

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/en/chemical/20739

4-Isopropylcyclohexanol molecular structure

Identifiers & Physical Properties

CAS No.	15890-36-5
Molecular formula	C9H18O
Average molar mass	142.24 g/mol
Monoisotopic mass	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

Chemical & Physical Properties

XLogP	2.6
Topological polar surface area	20.2
Hydrogen bond donors	1
Hydrogen bond acceptors	1
Rotatable bonds	1
Heavy atoms	10
Formal charge	0
Complexity	90
Kovats Retention Index	1173116516511683
Melting point	6°C(lit.)
Boiling point	94°C/5mmHg(lit.)
Density	0.9150
Refractive index	1.4640 to 1.4680
pKa (acidity coefficient)	15.30±0.40(Predicted)
Physical state	clear liquid
Color	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 DataBase Reference	15890-36-5
FDA UNII	365047QI0X
GHS pictogram	GHS06
Signal word	Warning
GHS hazard statements	H227
GHS precautionary statements	P501-P210-P280-P370+P378-P403+P235
Customs code	2906.19.5000

Safety & Regulations

GHS classification	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.
Regulatory information	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
Other safety information	Evaluation - Chemicals that are unlikely to require further regulation to manage risks to human health
Hazard Classes and Categories	Eye Dam. 1 (97.6%)
Customs code	2906.19.5000
Signal word	Warning
GHS pictogram	GHS06
GHS hazard statements	H227
GHS precautionary statements	P501-P210-P280-P370+P378-P403+P235

CAS No.

15890-36-5

Molecular formula

C9H18O

Average molar mass

142.24 g/mol

Monoisotopic mass

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

Chemical & Physical Properties

XLogP

2.6

Topological polar surface area

20.2

Hydrogen bond donors

Hydrogen bond acceptors

Rotatable bonds

Heavy atoms

Formal charge

Complexity

Kovats Retention Index

1173116516511683

Melting point

6°C(lit.)

Boiling point

94°C/5mmHg(lit.)

Density

0.9150

Refractive index

1.4640 to 1.4680

pKa (acidity coefficient)

15.30±0.40(Predicted)

Physical state

clear liquid

Color

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 DataBase Reference

15890-36-5

FDA UNII

365047QI0X

GHS pictogram

GHS06

Signal word

Warning

GHS hazard statements

H227

GHS precautionary statements

P501-P210-P280-P370+P378-P403+P235

Customs code

2906.19.5000

Safety & Regulations

GHS classification

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.

Regulatory information

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

Other safety information

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

Hazard Classes and Categories

Eye Dam. 1 (97.6%)