2,2-Dimethyl-3-(3-methylpenta-2,4-dienyl)oxirane
Basic information
- CAS
69103-20-4- Standard SMILES
C=CC(C)=CCC1OC1(C)C- InChIKey
LIMXJCIGROLRED-UHFFFAOYSA-N- Molecular formula
- C10H16O
- Average molar mass
- 152.23 g/mol
- Monoisotopic mass
- 152.12011513
Overview
See also: beta-Ocimene epoxide (annotation moved to).
Names & identifiers
- Preferred name
- 2,2-Dimethyl-3-(3-methylpenta-2,4-dienyl)oxirane
- IUPAC
- 2,2-dimethyl-3-(3-methylpenta-2,4-dienyl)oxirane
- English name
- 2,2-Dimethyl-3-(3-methyl-2,4-pentadienyl)-oxirane
- Molecular formula
- C10H16O
- Molecular weight
- 152.23
Names & synonyms
2,2-Dimethyl-3-(3-methylpenta-2,4-dienyl)oxiraneOxirane, 2,2-dimethyl-3-(3-methyl-2,4-pentadienyl)-DTXSID3052436RefChem:441315DTXCID503100869103-20-42,2-DIMETHYL-3-(3-METHYL-2,4-PENTADIENYL)-OXIRANEocimene oxiraneUNII-GI3799S29TSCHEMBL14721482,2-dimethyl-3-(3-methylpenta-2,4-dien-1-yl)oxiraneLIMXJCIGROLRED-UHFFFAOYSA-N
Show more names
MyroxydeEinecs 273-870-46,7-Epoxy-3,7-dimethyl-1,3-octadiene2,2-Dimethyl-3-(3-methylpenta-2,4-dienyl)oxiran2-(3-Methyl-2,4-pentadienyl)-3,3-dimethyloxiraneOxirane, 2,2-dimethyl-3-(3-methyl-2,4-pentadien-1-yl)-2,2-Dimethyl-3-(3-methyl-2,4-dimethyl-pentadienyl)oxirane
NS000100712,2-dimethyl-3-(3-methylpenta-2,4-dienyl) oxirane
Database identifiers
- CAS
69103-20-4- PubChem CID
- 94648
- DTXSID
DTXSID3052436- EC Number
- 273-870-4
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 189
Physicochemical properties
- Boiling point
- 189 · 189.0±9.0 °C(Predicted)
- Density
- 0.87 · 0.870±0.06 g/cm3(Predicted)
- vapor pressure
- 88 Pa · 88Pa at 25℃
- Odor
- 100 % · at 100.00 %. sweet metallic fresh herbal lavender opoponax clary pear
- Odor Type
- herbal
- Water Solubility
- 683 mg/L · 683mg/L at 20℃
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 2.99 at · 2.99 at 30℃
- FDA UNII
- 3799 S29T · GI3799S29T
- EPA Substance Registry System
- 2 · Oxirane, 2,2-dimethyl-3-(3-methyl-2,4-pentadienyl)- (69103-20-4)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
- TSCA
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
This chemical does not meet GHS hazard criteria for 79.8% (213 of 267) of all reports.
Warning
H317 (20.2%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 267 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Oxirane, 2,2-dimethyl-3-(3-methyl-2,4-pentadienyl)-
REACH registered substance: 2,2-dimethyl-3-(3-methylpenta-2,4-dienyl)oxirane (EC: 273-870-4)
Oxirane, 2,2-dimethyl-3-(3-methyl-2,4-pentadienyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Sens. 1B (20.2%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H317
- REACH Registrations
- Active
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Uses & manufacturing
Household ProductsInformation on 2 consumer products that contain 2,2-Dimethyl-3-(3-methylpenta-2,4-dienyl)oxirane in the following categories is provided:
Suppliers
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Related reactions
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Compound notes
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