Basic information
- CAS
7416-35-5- Standard SMILES
CC=C(C)C1CCC(C)(C)O1- InChIKey
LPEYLSKLVYWOEQ-UHFFFAOYSA-N- Molecular formula
- C10H18O
- Average molar mass
- 154.25 g/mol
- Monoisotopic mass
- 154.13576519
Overview
2,2-Dimethyl-5-(1-methylpropenyl)tetrahydrofuran has been reported in Citrus reticulata and Citrus deliciosa with data available.
Names & identifiers
- Preferred name
- 2,2-Dimethyl-5-(1-methylpropenyl)tetrahydrofuran
- IUPAC
- 5-but-2-en-2-yl-2,2-dimethyloxolane
- English name
- Ocimene quintoxide
- Molecular formula
- C10H18O
- Molecular weight
- 154.25
Names & synonyms
5-but-2-en-2-yl-2,2-dimethyloxolane2,2-Dimethyl-5-(1-methylpropenyl)tetrahydrofuranRefChem:810687416-35-5Ocimene quintoxideSCHEMBL2008023NS000477572,2-Dimethyl-5-(1-methylpropenyl)-tetrahydrofuranFuran, tetrahydro-2,2-dimethyl-5-(1-methyl-1-propenyl)-FEMA 3665OCIMEN QUINTOXIDEOXIMENE QUINTOXIDE, TERPENE STANDARD
Show more names
5-(But-2-en-2-yl)-2,2-dimethyltetrahydrofuran2,2-DIMETHYL-5-(1-METHYLPROPEN-1-YL)TETRAHYDROFURAN2,2-Dimethyl-5-(1-methylprop-1-enyl)tetrahydrofurantetrahydro-2,2-dimethyl-5-(1-methyl-1-propenyl)-fura
Database identifiers
- CAS
7416-35-5- PubChem CID
- 92002
- EC Number
- 231-028-3
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 168
Experimental & physicochemical properties
FragrancesFragrance Ingredient (2,2-Dimethyl-5-(1-methylpropen-1-yl)tetrahydrofuran) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.858-0.865
Flavoring AgentsEU Flavoring substances
Solubility
Soluble in fats; Slightly soluble in water
Soluble (in ethanol)
Boiling Point65 °C (10 mm Hg)
Refractive Index1.446-1.451
Physical DescriptionColourless liquid; Citrus aroma
Physicochemical properties
- Boiling point
- 61 °C · 61 °C(Press: 9 Torr)
- Density
- 0.865 g/mL · 0.865 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.4460(lit.)
- FLAVIS Number
- 13.09 · 13.090 | 2,2-Dimethyl-5-(1-methylprop-1-enyl)tetrahydrofuran
- FEMA
- 3665 · 3665 | 2,2-DIMETHYL-5-(1-METHYLPROPEN-1-YL)TETRAHYDROFURAN
- Flash point
- 48 °C · 48 °C
- Odor
- 1 % · at 1.00 % in dipropylene glycol. sweet citrus herbal green celery spicy minty woody
- Odor Type
- citrus
- JECFA Number
- 1452 · 1452
- LogP
- 3.1 · 3.10
- Substances Added to Food (formerly EAFUS)
- 2 · 2,2-DIMETHYL-5-(1-METHYLPROPEN-1-YL) TETRAHYDROFURAN
- FDA UNII
- 1371 LCG89 · C1371LCG89
- Symbol(GHS)
- 2 · GHS02
- Signal word
- Warning
- Hazard statements
- 226 · H226
- Risk Statements
- 10 · 10
- Safety Statements
- 16 · 16
- RIDADR
- 1993 · UN 1993 3/PG 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H226 (100%): 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 1443 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Furan, tetrahydro-2,2-dimethyl-5-(1-methyl-1-propenyl)-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Furan, tetrahydro-2,2-dimethyl-5-(1-methyl-1-propenyl)-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Furan, tetrahydro-2,2-dimethyl-5-(1-methyl-1-propenyl)-: Human health tier I assessment
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- ridadr
- UN 1993 3/PG 3
- risk_code
- 10
- Signal word
- Warning
- Symbol(GHS)
- GHS02
- safety_code
- 16
- Hazard statements
- H226
Chemistry & industry
Uses & manufacturing
Use Classification
Fragrance Ingredients
Flavoring Agents -> JECFA Flavorings Index
Applications
OccurrenceReported found in muscat grape, lime oil, papaya, white wine, passion fruit, caja fruit (Spondias lutea L.) and cherimoya (Annona cheremolia Mill.) and distilled lime wine
UsesOcimene Quintoxide is a citrus flavoring material.
Suppliers5 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海昕凯医药科技有限公司21-619849051-1 18521059765 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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