2-sec-Butyl cyclohexanone

HCID 61771CAS 14765-30-1
Substructure searchFind similar structures

Basic information

Standard SMILES
CCC(C)C1CCCCC1=O
InChIKey
RQXTZKGDMNIWJF-UHFFFAOYSA-N
Molecular formula
C10H18O
Average molar mass
154.25 g/mol
Monoisotopic mass
154.1357652

Names & identifiers

Preferred name
2-sec-Butyl cyclohexanone
IUPAC
2-butan-2-ylcyclohexan-1-one
English name
2-sec-Butylcyclohexanone
Molecular formula
C10H18O
Molecular weight
154.25

Names & synonyms

2-sec-Butylcyclohexanone14765-30-12-(sec-Butyl)cyclohexanone2-(1-Methylpropyl)cyclohexanone2-sec-Butylcyclohexan-1-oneCyclohexanone, 2-(1-methylpropyl)-Cyclohexanone, 2-sec-butyl-2-sec-butyl cyclohexanoneFreskomenthe2-(butan-2-yl)cyclohexan-1-oneFEMA No. 3261Butylcyclohexanone, O-sec-
Show more names
FEMA 3261FRESCOMENTHE2-CYCLOHEXANONEFreskomenthe 52027032-sec-butyl-cyclohexanonO-SEC-BUTYLCYCLOHEXANONEpeppermint cyclohexanone2-sec-Butylcyclohexan-1-on
DTXSID4041818EINECS 238-830-25WA6R1KL5JNSC 21146BRN 1859137NSC-21146DTXCID20218182-SEC-BUTYL CYCLOHEXANONE, DL-

Database identifiers

CAS
14765-30-1
PubChem CID
61771
DTXSID
DTXSID4041818
UNII
5WA6R1KL5J
EC Number
238-830-2
Nikkaji
J227.181H

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
11

Experimental & physicochemical properties

FragrancesFragrance Ingredient (2-sec-Butylcyclohexanone) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.911-0.917
Flavoring AgentsEU Flavoring substances
Solubility · 3 items

566 mg/L @ 20 °C (exp)

insoluble in water; miscible with most oils

Miscible at room temperature (in ethanol)

Boiling Point · 2 items

76.00 to 78.00 °C. @ 8.00 mm Hg

76-78 °C

Physicochemical properties

Melting point
27.18 °C · 27.18°C (estimate)
Boiling point
76 · 76-78 °C8 mm Hg(lit.)
Density
0.912 g/mL · 0.912 g/mL at 25 °C(lit.)
vapor pressure
5.52 hPa · 5.52hPa at 20℃
FEMA
3261 · 3261 | 2-SEC-BUTYLCYCLOHEXANONE
refractive index
20 · n20/D 1.458(lit.)

Safety & regulation

GHS classification

GHS Classification · 3 items

This chemical does not meet GHS hazard criteria for 96% (1531 of 1595) of all reports.

Not Classified

Aggregated GHS information provided per 1595 reports by companies from 3 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory Information · 5 items

Chemical: Cyclohexanone, 2-(1-methylpropyl)-

Regulation (EC) No 1334/2008 (amended)

Cyclohexanone, 2-(1-methylpropyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Cyclohexanone, 2-(1-methylpropyl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 28-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/22256

2-sec-butylcyclohexan-1-one: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesNot Classified

Safety data

wgk
2
tsca
TSCA listed
rtecs
GW1804000
hs_code
29142990
Toxicity
rabbit,LD50,skin,> 5gm/kg (5000mg/kg),Food and Chemical Toxicology. Vol. 30, Pg. 11S, 1992.
Signal word
Warning

Chemistry & industry

Pharmacology

Cellular LocationsMembrane

Uses & manufacturing

U.S. Production2023: 8,519,952 lb
Consumer UsesFragrance
Industry UsesFragrance
Household ProductsInformation on 16 consumer products that contain 2-sec-Butylcyclohexan-1-one in the following categories is provided:
Use Classification · 4 items

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing Information · 2 items

All Other Chemical Product and Preparation Manufacturing

Cyclohexanone, 2-(1-methylpropyl)-: ACTIVE

Preparation methods

PreparationBy hydrogenation of o-sec-butyl phenol in the presence of palladium catalyst; by hydrogenation of 2-sec-butylidene cyclohexanone.

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]

Related reactions

2 records
New reaction record

Linked notes

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