Basic information
- CAS
1599-47-9- Standard SMILES
CCCCCC(OC)OC- InChIKey
ZQUJUCJLDXTKKW-UHFFFAOYSA-N- Molecular formula
- C8H18O2
- Average molar mass
- 146.23 g/mol
- Monoisotopic mass
- 146.13067981
Names & identifiers
- Preferred name
- 1,1-Dimethoxyhexane
- IUPAC
- 1,1-dimethoxyhexane
- English name
- HEXANAL DIMETHYL ACETAL
- Molecular formula
- C8H18O2
- Molecular weight
- 146.23
Names & synonyms
1,1-DimethoxyhexaneHexanal dimethyl acetalHexane, 1,1-dimethoxy-Aldehyde C-6 dimethyl acetalEINECS 216-488-5AI3-36019DTXSID6061812RefChem:71091DTXCID2035148216-488-5ZQUJUCJLDXTKKW-UHFFFAOYSA-N1599-47-9
Show more names
n-Hexanal dimethylacetalHEXALDEHYDE DIMETHYL ACETALN-HEXANAL DIMETHYLACETAL, 98+%n-Hexanal diMethylacetal, 98+% 25GR
Hexanaldimethylacetal1,1-dimethoxy-hexaneHexanal, dimethyl acetalcaproaldehyde dimethyl acetal1,1-Dimethoxyhexane, 98%SCHEMBL167839C2N95Z7EA9SCHEMBL2961955
Database identifiers
- CAS
1599-47-9- PubChem CID
- 74137
- DTXSID
DTXSID6061812- UNII
- C2N95Z7EA9
- EC Number
- 216-488-5
- Nikkaji
- J195.213G
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 60.3
Experimental & physicochemical properties
Flavoring AgentsEU Flavoring substances
Physicochemical properties
- Boiling point
- 163 · 163-164 °C(lit.)
- Density
- 0.847 g/mL · 0.847 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.405(lit.)
- FLAVIS Number
- 6.073 · 06.073 | 1,1-Dimethoxyhexane
- Flash point
- 130 °F · 130 °F
- storage temp.
- Flammables area
- form
- Liquid
- color
- Clear colorless
- Odor
- 100 % · at 100.00 %. green sweet dry musty
- Odor Type
- green
- InChI
- 1S/C8H18O2/c1-4-5-6-7-8(9-2)10-3/h8H,4-7H2,1-3H3
- InChIKey
- ZQUJUCJLDXTKKW-UHFFFAOYSA-N
- SMILES
- CCCCCC(OC)OC
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, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Hexane, 1,1-dimethoxy-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Hexane, 1,1-dimethoxy-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1993 3/PG 3
- hs_code
- 29110000
- risk_code
- 10-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- Xi
- safety_code
- 26-36
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationHexane, 1,1-dimethoxy-: ACTIVE
Upstream & downstream products
Downstream products
Suppliers25 total
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
北京伊诺凯科技有限公司400-810-7969 010-59572699 · [email protected]
青岛海智微元生物科技有限公司18317699790 18317699790 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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