2-Methyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)-2-buten-1-ol

2-Buten-1-ol, 2-methyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)-

HCID 119897CAS 28219-60-5

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Grundinformationen

Standard-SMILES: CC(=CCC1CC=C(C)C1(C)C)CO
InChIKey: MTVBNJVZZAQKRV-UHFFFAOYSA-N
Summenformel: C13H22O
Durchschnittliche Molmasse: 194,31 g/mol
Monoisotopische Masse: 194,16706532

Namen und Bezeichner

Bevorzugter Name: 2-Buten-1-ol, 2-methyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)-
IUPAC: 2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-en-1-ol
Lokaler Name: 2-Methyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)-2-buten-1-ol
Englischer Name: Sandalmysore Core
Summenformel: C13H22O
Molmasse: 194.31

Namen und Synonyme

2-Methyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)-2-buten-1-ol2-Buten-1-ol, 2-methyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)-DTXSID40865418EINECS 248-907-22-Methyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)but-2-en-1-olRefChem:85945DTXCID90813828248-907-228219-60-52-METHYL-4-(2,2,3-TRIMETHYLCYCLOPENT-3-EN-1-YL)BUT-2-EN-1-OLsandal butenolSCHEMBL232038

Weitere Namen anzeigen

SantaliffMadrolSANDELICESantamanolSANDALMYSORE COREWhite Lehman Sandalwood2-Methyl-4-(2,2,3-trimethyl-3-cyclopentenyl)-2-butene-1-ol2-Methyl-4-(2,2,3-trimethyl-cyclopent-3-enyl)-but-2-en-1-ol

DB-240345NS00100383

Datenbank-Bezeichner

CAS: 28219-60-5
PubChem CID: 119897
DTXSID: DTXSID40865418
EC Number: 248-907-2

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,1
Polarare Oberfläche (TPSA): 20,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 3
Schwere Atome: 14
Formalladung: 0
Komplexität: 258

Experimentelle und physikochemische Eigenschaften

FragrancesFragrance Ingredient (2-Methyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)-2-buten-1-ol) -> IFRA transparency List

Physikochemische Eigenschaften

Siedepunkt: 269.5 · 269.5±9.0 °C(Predicted)
Dichte: 0.897 · 0.897±0.06 g/cm3(Predicted)
Dampfdruck: 0.003 Pa · 0.003Pa at 25℃
pka: 14.72 · 14.72±0.10(Predicted)
Geruch (Odor): 100 % · at 100.00 %. sandalwood creamy woody milky waxy greasy musk
Geruchsart: woody
Wasserlöslichkeit: 16.29 mg/L · 16.29mg/L
Kosmetik-Inhaltsstoffe Funktionen: PERFUMING
LogP: 4.65 · 4.65
EPA chemische Informationen: 2 · 2-Buten-1-ol, 2-methyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)- (28219-60-5)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 1.8% (31 of 1676) of reports.

Warning

H315 (16.2%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1676 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 3 Einträge

Chemical: 2-Buten-1-ol, 2-methyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)-

Status: Active Update: 28-02-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/19190

2-Buten-1-ol, 2-methyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Chemicals with limited data availability that are used in fragrances: Human health tier II assessment

Hazard Classes and CategoriesSkin Irrit. 2 (16.2%)

Sicherheitsdaten

tsca: TSCA listed

Chemie und Industrie

Verwendung und Herstellung

Household ProductsInformation on 4 consumer products that contain 2-Methyl-4-(2,2,3-Trimethyl-3-Cyclopentenyl)-2-Buten-1-Ol in the following categories is provided:

Use ClassificationFragrance Ingredients

General Manufacturing Information2-Buten-1-ol, 2-methyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)-: ACTIVE