Basic information
- CAS
4113-12-6- Standard SMILES
CCCCCCCCCCCCCCCCOCCCCCCCCCCCCCCCC- InChIKey
FDCJDKXCCYFOCV-UHFFFAOYSA-N- Molecular formula
- C32H66O
- Average molar mass
- 466.9 g/mol
- Monoisotopic mass
- 466.51136673
Names & identifiers
- Preferred name
- Dicetyl Ether
- IUPAC
- 1-hexadecoxyhexadecane
- English name
- N-HEXADECYL ETHER
- Molecular formula
- C32H66O
- Molecular weight
- 466.87
Names & synonyms
Hexadecyl etherDihexadecyl etherDicetyl etherBZ3TC4IWYYUNII-BZ3TC4IWYYNSC-77143COSMACOL ETHER 16DTXSID30194067EINECS 223-900-7NSC 77143HEXADECANE, 1-(HEXADECYLOXY)-RefChem:132998
Show more names
cetyl etherHexadecyletherHexadecylEther>DIHEXADECYL ETHERDI-N-HEXADECYL ETHERn-hexadecylether95+%1-cetyloxyhexadecane
DICETYL ETHER [INCI]DTXCID40116558FDCJDKXCCYFOCV-UHFFFAOYSA-N4113-12-6N-HEXADECYL ETHER1-(Hexadecyloxy)hexadecane1-hexadecoxyhexadecaneHexadecane, 1,1'-oxybis-
Database identifiers
- CAS
4113-12-6- PubChem CID
- 77757
- DTXSID
DTXSID30194067- UNII
- BZ3TC4IWYY
- EC Number
- 223-900-7
- Nikkaji
- J33.548G
Properties
Computed structural properties
- XLogP
- 15.6
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 30
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 284
Experimental & physicochemical properties
Cosmetics
Cosmetic ingredients (Dicetyl Ether) -> CIR (Cosmetic Ingredient Review)
Emollient; Skin conditioning
Physicochemical properties
- Melting point
- 55 °C · 55°C
- Boiling point
- 503.8 °C · 503.8°C
- Density
- 0.829 · 0.8290
- refractive index
- 1.4 · 1.4000 (estimate)
- form
- powder to crystal
- color
- White to Almost white
- Cosmetics Ingredients Functions
- SKIN CONDITIONINGSKIN CONDITIONING - EMOLLIENT
- Cosmetic Ingredient Review (CIR)
- N-HEXADECYL ETHER (4113-12-6)
- LogP
- 15.306 · 15.306 (est)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 3 TC4IWYY · BZ3TC4IWYY
- Symbol(GHS)
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 75% (3 of 4) of all reports.
Warning
H315 (25%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (25%)
Toxicology
Toxicity SummarySafe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org
Safety data
- hs_code
- 2909.19.1800
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Hazard statements
- H319-H335-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Uses & manufacturing
UsesCIR ingredient: Dicetyl Ether
Use ClassificationCosmetics -> Emollient; Skin conditioning
Suppliers17 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Aladdin Scientific[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]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
上海永叶生物科技有限公司86-021-61559134 15921386130 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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