Sabinene

HCID 18818
NotesReactions

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Substructure searchFind similar structures

Basic information

CAS
3387-41-5
Standard SMILES
C=C1CCC2(C(C)C)CC12
InChIKey
NDVASEGYNIMXJL-UHFFFAOYSA-N
Molecular formula
C10H16
Average molar mass
136.23 g/mol
Monoisotopic mass
136.12520051

Overview

Sabinene is a thujene that is a bicyclic monoterpene isolated from the essential oils of various plant species. It has a role as a plant metabolite.

Names & identifiers

Preferred name
Sabinene
IUPAC
4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane

Names & synonyms

SABINENE3387-41-5SabinenBicyclo[3.1.0]hexane, 4-methylene-1-(1-methylethyl)-1-Isopropyl-4-methylenebicyclo[3.1.0]hexaneTHUJENE, 4(10)-DTXSID70863164CHEBI:500274-methylidene-1-propan-2-ylbicyclo[3.1.0]hexaneNSC-407278Bicyclo(3.1.0)hexane, 4-methylene-1-(1-methylethyl)-4-methylidene-1-propan-2-ylbicyclo(3.1.0)hexane
Show more names
1-ISOPROPYL-4-METHYLENEBICYCLO(3.1.0)HEXANERefChem:55455DTXCID301341343222-212-47D1TL44GPC4(10)-Thujene4-methylidene-1-(propan-2-yl)bicyclo[3.1.0]hexaneCitrus

Database identifiers

CAS
3387-41-5
PubChem CID
18818
DTXSID
DTXSID70863164
ChEMBL
CHEMBL452687
ChEBI
CHEBI:50027
EC Number
222-212-4
Nikkaji
J7.728C

Properties

Computed structural propertiesFilling in

XLogP
3.1
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
1
Heavy atoms
10

Experimental & physicochemical properties

FragrancesFragrance Ingredient (Sabinene) -> IFRA transparency List
LogP4.63
Flavoring AgentsEU Flavoring substances

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H226 (83.4%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P331, P332+P317, P333+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 362 reports by companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 3 items

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

Status: Active Update: 23-07-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/26637

Bicyclo3.1.0hexane, 4-methylene-1-(1-methylethyl)-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesFlam. Liq. 3 (83.4%)

Chemistry & industry

Uses & manufacturing

Household ProductsInformation on 1 consumer products that contain Sabinene in the following categories is provided:
Use ClassificationFragrance Ingredients

Related reactions

1 records
New reaction record

Compound notes

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