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

HCID 119897

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Basic information

CAS: 28219-60-5
Standard SMILES: CC(=CCC1CC=C(C)C1(C)C)CO
InChIKey: MTVBNJVZZAQKRV-UHFFFAOYSA-N
Molecular formula: C13H22O
Average molar mass: 194.31 g/mol
Monoisotopic mass: 194.16706532

Names & identifiers

Preferred 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
English name: Sandalmysore Core
Molecular formula: C13H22O
Molecular weight: 194.31

Names & synonyms

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

Show more names

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

Database identifiers

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

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 14
Formal charge: 0
Complexity: 258

Experimental & physicochemical properties

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

Physicochemical properties

Boiling point: 269.5 · 269.5±9.0 °C(Predicted)
Density: 0.897 · 0.897±0.06 g/cm3(Predicted)
vapor pressure: 0.003 Pa · 0.003Pa at 25℃
pka: 14.72 · 14.72±0.10(Predicted)
Odor: 100 % · at 100.00 %. sandalwood creamy woody milky waxy greasy musk
Odor Type: woody
Water Solubility: 16.29 mg/L · 16.29mg/L
Cosmetics Ingredients Functions: PERFUMING
LogP: 4.65 · 4.65
EPA Substance Registry System: 2 · 2-Buten-1-ol, 2-methyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)- (28219-60-5)
Symbol(GHS): 7 · GHS07,GHS09
Signal word: Warning
Hazard statements: 410 · H410-H400-H319
Precautionary statements: 273 · P273-P391-P501-P264-P280-P305+P351+P338-P337+P313P-P273-P391-P501
TSCA: TSCA listed
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 5 items

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.

Hazard information

Regulatory Information · 3 items

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%)

Safety data

tsca: TSCA listed
Signal word: Warning
Symbol(GHS): GHS07,GHS09
Hazard statements: H410-H400-H319
REACH Registrations: Active
Precautionary statements: P273-P391-P501-P264-P280-P305+P351+P338-P337+P313P-P273-P391-P501

Chemistry & industry

Uses & manufacturing

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