Basic information
- CAS
13679-86-2- Standard SMILES
C=CC1(C)CCC(C(=C)C)O1- InChIKey
XIGFNCYVSHOLIF-UHFFFAOYSA-N- Molecular formula
- C10H16O
- Average molar mass
- 152.23 g/mol
- Monoisotopic mass
- 152.12011513
Overview
Tetrahydro-5-isopropenyl-2-methyl-2-vinylfuran is a member of oxolanes.
Names & identifiers
- Preferred name
- Tetrahydro-5-isopropenyl-2-methyl-2-vinylfuran
- IUPAC
- 2-ethenyl-2-methyl-5-prop-1-en-2-yloxolane
- English name
- FEMA 3759
- Molecular formula
- C10H16O
- Molecular weight
- 152.23
Names & synonyms
Tetrahydro-5-isopropenyl-2-methyl-2-vinylfuran2-ethenyl-2-methyl-5-(prop-1-en-2-yl)oxolaneRefChem:8971432-Isopropenyl-5-methyl-5-vinyltetrahydrofuranDehydroxylinalool OxideFEMA3759cis-anhydro linalool oxideMFCD000654222-methyl-5-(prop-1-en-2-yl)-2-vinyltetrahydrofuranUNII-F2S8JZM40PFEMA 37595-isopropenyl-2-methyl-2-vinyl-tetrahydrofuran
Show more names
DEHYDROXY LINALOOL OXIDE2-Ethenyl-2-methyl-5-prop-1-en-2-yloxolane2-Methyl-2-vinyl-5-isopropenyltetrahydrofuran2-ethenyltetrahydro-2-methyl-5-(1-methylethenyl)-fura2-ethenyltetrahydro-2-methyl-5-(1-methylethenyl)-Furan
SCHEMBL8727765-ISOPROPENYL-2-METHYL-2-VINYL TETRAHYDROFURANorb3029138CHEBI:171918AKOS0062832155-Isopropenyl-2-methyl-2-vinyl-oxolanBS-20804SY052444
Database identifiers
- CAS
13679-86-2- PubChem CID
- 61665
- DTXSID
DTXSID20864429- ChEBI
CHEBI:171918- EC Number
- 237-184-9
- Nikkaji
- J277.988I
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 183
Physicochemical properties
- Boiling point
- 55 °C/11mmHg · 55°C/11mmHg(lit.)
- Density
- 0.925 · 0.925±0.06 g/cm3(Predicted)
- refractive index
- 1.45 to · 1.4500 to 1.4550
- FEMA
- 3759 · 3759 | 5-ISOPROPENYL-2-METHYL-2-VINYLTETRAHYDROFURAN
- FLAVIS Number
- 13.097 · 13.097 | Anhydrolinalool oxide (5)
- storage temp.
- Amber Vial, Refrigerator, Under inert atmosphere
- solubility
- Chlorofom (Slightly), Methanol (Slightly)
- form
- Oil
- color
- Colourless
- Odor
- 100 % · at 100.00 %. green minty spice herbal rosemary phenolic
- Odor Type
- herbal
- JECFA Number
- 1455 · 1455
- Stability
- Light Sensitive
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 2.77 · 2.77
- Substances Added to Food (formerly EAFUS)
- 5 · 5-ISOPROPENYL-2-METHYL-2-VINYLTETRAHYDROFURAN
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 2 S8JZM40P · F2S8JZM40P
- EPA Substance Registry System
- 2 · Furan, 2-ethenyltetrahydro-2-methyl-5-(1-methylethenyl)- (13679-86-2)
- Symbol(GHS)
- 2 · GHS02
- Signal word
- Warning
- Hazard statements
- 226 · H226
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- RIDADR
- 1993 · UN 1993 3/PG III
- TSCA
- TSCA listed
- HazardClass
- 3 · 3
- PackingGroup
- III
- HS Code
- 2932190090 · 2932190090
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 1402 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- tsca
- TSCA listed
- ridadr
- UN 1993 3/PG III
- hs_code
- 2932190090
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS02
- hazard_code
- Xn
- hazard_class
- 3
- packing_group
- III
- Hazard statements
- H226
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Applications
Description5-Isopropenyl-2-methyl-2-vinyltetrahydrofuran has a pungent, herbaceous, green, boldo-like camphoraceous, piney, terpene-like, and slightly cineol-like odor.
OccurrenceReported found in passion fruit, muscat grape, white wine, coffee, geranium oil, cognac, grapefruit juice, coriander seed, lemon balm, clary sage, and bitter orange peel oil.
Suppliers24 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
湖北世腾化工科技有限公司18971850150 19086915685 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
上海傲广生物科技有限公司1735-4997695 17715859063 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海麦克林生化科技股份有限公司50706066 15221275939 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
上海贤鼎生物科技有限公司021-021-52271985 17721149837 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
TCI Chemicals (India) Pvt. Ltd.[email protected]
Aladdin Scientific[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Additional notes
DefinitionChEBI: Tetrahydro-5-isopropenyl-2-methyl-2-vinylfuran is a member of oxolanes.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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