Basic information
- CAS
131812-52-7- Standard SMILES
CC1COC(C)(c2ccc3c(c2)C(C)(C)CCC3(C)C)O1- InChIKey
JEPWTUCYPWOCQV-UHFFFAOYSA-N- Molecular formula
- C19H28O2
- Average molar mass
- 288.4 g/mol
- Monoisotopic mass
- 288.20893013
Overview
structure in first source
Names & identifiers
- Preferred name
- 1,3-Dioxolane, 2,4-dimethyl-2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-
- IUPAC
- 2,4-dimethyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolane
- English name
- 1,3-Dioxolan, 2,4-Dimethyl-2-(5,6,7,8,-Tetrahydro-5,5,8,8-tetramethyl-2-naphtalenyl)-
- Molecular formula
- C19H28O2
- Molecular weight
- 288.42
Names & synonyms
131812-67-41,3-Dioxolane, 2,4-dimethyl-2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-OkoumalDTXSID00888946131812-52-7RefChem:414867DTXCID701028216639-471-8687-591-4131812-51-62,4-dimethyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolanewoody dioxolane
Show more names
1,3-Dioxolane, 2,4-dimethyl-2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-, trans- (9CI)
SCHEMBL1775975SCHEMBL293644612,4-Dimethyl-2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-dioxolaneNS000241742,4-Dimethyl-2-(1,1,4,4-tetramethyl-tetralin-6-Yl)-1,3-dioxolane
Database identifiers
- CAS
131812-52-7、131812-67-4- PubChem CID
- 3034278
- DTXSID
DTXSID00888946- EC Number
- 412-950-7、639-471-8、687-591-4
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 400
Experimental & physicochemical properties
Fragrances
Fragrance Ingredient (1,3-Dioxolane, 2,4-dimethyl-2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-, trans-) -> IFRA transparency List
Fragrance Ingredient (2,4-Dimethyl-2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1,3-dioxolane) -> IFRA transparency List
Physicochemical properties
- Boiling point
- 352.8 · 352.8±37.0 °C(Predicted)
- Density
- 0.97 · 0.970±0.06 g/cm3(Predicted)
- Cosmetics Ingredients Functions
- PERFUMING
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 410 · H410
- Precautionary statements
- 273 · P273-P391-P501
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
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1555 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H315 (18.5%): Causes skin irritation [Warning Skin corrosion/irritation]
Hazard information
Regulatory Information
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: A mixture of: trans-2,4-dimethyl-2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-naphthalene-2-yl)-1,3-dioxolane; cis-2,4-dimethyl-2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-naphthalene-2-yl)-1,3-dioxolane (EC: 412-950-7)
Hazard Classes and Categories
Aquatic Acute 1 (100%)
Aquatic Acute 1 (40%)
Skin Irrit. 2 (18.5%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- Hazard statements
- H410
- Precautionary statements
- P273-P391-P501
Chemistry & industry
Uses & manufacturing
Household ProductsInformation on 1 consumer products that contain 1,3-Dioxolane, 2,4-dimethyl-2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)- in the following categories is provided:
Use Classification
Fragrance Ingredients
Fragrance Ingredients
General Manufacturing Information1,3-Dioxolane, 2,4-dimethyl-2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-: ACTIVE
Suppliers14 total
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
武汉卡诺斯科技有限公司027-83238443 15327105076 · [email protected]
湖北微斯汀科技有限公司027-61182895 13367240285 · [email protected]
泰安嘉岳生物化工有限公司15318151873 · [email protected]
BOC Sciences[email protected]
武汉柔博医药化工有限公司027-027-87827088 18986164924 · [email protected]
湖北东曹化学科技有限公司027-83238443 13343438265 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
Related reactions
3 records
Compound notes
Loading…