2-Methyl-5-(1-methylethyl)bicyclo(3.1.0)hexan-2-ol

HCID 62367CAS 546-79-2
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)C12CCC(C)(O)C1C2
InChIKey
KXSDPILWMGFJMM-UHFFFAOYSA-N
Molecular formula
C10H18O
Average molar mass
154.25 g/mol
Monoisotopic mass
154.1357652

Overview

Sabinene hydrate is a p-menthane monoterpenoid.

Names & identifiers

Preferred name
2-Methyl-5-(1-methylethyl)bicyclo(3.1.0)hexan-2-ol
IUPAC
2-methyl-5-propan-2-ylbicyclo[3.1.0]hexan-2-ol

Names & synonyms

Sabinenehydrate2-Methyl-5-(1-methylethyl)bicyclo(3.1.0)hexan-2-ol2-methyl-5-(1-methylethyl)bicyclo[3.1.0]hexan-2-olRefChem:910064208-911-7Sabinene hydrate546-79-24-Thujanol5-Isopropyl-2-methylbicyclo[3.1.0]hexan-2-ol2-methyl-5-propan-2-ylbicyclo[3.1.0]hexan-2-ol(Z)-Sabinene hydrateFEMA No. 3239
Show more names
Bicyclo(3.1.0)hexan-2-ol, 2-methyl-5-(1-methylethyl)-Bicyclo[3.1.0]hexan-2-ol, 2-methyl-5-(1-methylethyl)-cis-Sabinene hydrate4-Thujanol (natural)cis-SabinenehydrateBicyclo[3.1.0]hexan-2-ol, 2-methyl-5-(1-methylethyl)-; 4-Thujanol (6CI,7CI,8CI); 2-Methyl-5-(1-methylethyl)bicyclo[3.1.0]hexan-2-ol; Sabinene hydrateEINECS 208-911-7sabinene hydrate (cis-)

Database identifiers

CAS
546-79-2
PubChem CID
62367
DTXSID
DTXSID40862164
ChEMBL
CHEMBL5305985
ChEBI
CHEBI:16377
EC Number
208-911-7
Nikkaji
J52.222H

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
11

Experimental & physicochemical properties

FragrancesFragrance Ingredient (4-Thujanol) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Flavoring AgentsEU Flavoring substances
Solubility(in ethanol)
Boiling Pointtrans 193-196 °C; cis 195-200 °C
Refractive Indextrans, 1.443 (60 °C); cis, 1.449 (60 °C)

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 78.3% (90 of 115) of all reports.

Warning

H226 (21.7%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 115 reports by companies from 2 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory Information · 2 items

Chemical: Bicyclo[3.1.0]hexan-2-ol, 2-methyl-5-(1-methylethyl)-

Bicyclo3.1.0hexan-2-ol, 2-methyl-5-(1-methylethyl)-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesFlam. Liq. 3 (21.7%)

Chemistry & industry

Uses & manufacturing

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 InformationBicyclo[3.1.0]hexan-2-ol, 2-methyl-5-(1-methylethyl)-: ACTIVE

Related reactions

2 records
New reaction record

Linked notes

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