Basic information
- CAS
4359-57-3- Standard SMILES
CCCCCCCC1OCCO1- InChIKey
LWJBQKKNODYJEI-UHFFFAOYSA-N- Molecular formula
- C10H20O2
- Average molar mass
- 172.26 g/mol
- Monoisotopic mass
- 172.14632988
Names & identifiers
- Preferred name
- 1,3-Dioxolane, 2-heptyl-
- IUPAC
- 2-heptyl-1,3-dioxolane
- English name
- 2-Heptyl-1,3-dioxalane octanal glycol acetal
- Molecular formula
- C10H20O2
- Molecular weight
- 172.26
Names & synonyms
2-Heptyl-1,3-dioxolane1,3-Dioxolane, 2-heptyl-Octanal glycolacetalEINECS 224-438-9DTXSID7063429RefChem:72798DTXCID8040274224-438-9LWJBQKKNODYJEI-UHFFFAOYSA-N4359-57-3MFCD002169922-HEPTYL-1,3-DIOXALANE OCTANAL GLYCOL ACETAL
Show more names
CYCLOCTALRARECHEM AL BP 01662-Heptyl-1,3-dioxane2-heptyl-3-dioxolaneoctanal glycol acetal3-Dioxolane,2-heptyl-1Octanal ethylene acetal
2-heptyl-[1,3]dioxolane2-Heptyl-1,3-dioxolane #SCHEMBL1879937SCHEMBL29130780n-Octanal Ethylene Glycol AcetalAKOS006271909AS-76730SY434427
Database identifiers
- CAS
4359-57-3- PubChem CID
- 78067
- DTXSID
DTXSID7063429- EC Number
- 224-438-9
- Nikkaji
- J205.740I
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 98
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Boiling point
- 115 · 115-116 °C(Press: 45 Torr)
- Density
- 0.902 · 0.902±0.06 g/cm3(Predicted)
- form
- clear liquid
- color
- Colorless to Light yellow
- Odor
- 10 % · at 10.00 % in dipropylene glycol. fresh citrus orange aldehydic fatty
- Odor Type
- citrus
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 3.14 · 3.140 (est)
- EPA Substance Registry System
- 1 · 1,3-Dioxolane, 2-heptyl- (4359-57-3)
- TSCA
- TSCA listed
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 100% (89 of 89) of all reports.
Not Classified
Aggregated GHS information provided per 89 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 1,3-Dioxolane, 2-heptyl-
1,3-Dioxolane, 2-heptyl-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 1,3-Dioxolane, 2-heptyl-: Environment tier I assessment
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,3-Dioxolane, 2-heptyl-: ACTIVE
Suppliers23 total
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
JINING XINHE CHEMICAL CO., LTD+8615318402391 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
上海健超生物科技有限公司150-2103-5486 18017383231 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
湖北恒绿源科技有限公司027-88188016 18717196322 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
TCI Chemicals (India) Pvt. Ltd.[email protected]
Aladdin Scientific[email protected]
LYSCHEM International LLC13911018262 · [email protected]
上海迈瑞尔生化科技有限公司18621169109 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
深圳利斯康医药科技有限公司+86-0755-89396905 +86-18025329037 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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