Basic information
- CAS
102608-53-7- Standard SMILES
C/C(=C\CO)CCCC(C)CCCC(C)CCCC(C)C- InChIKey
BOTWFXYSPFMFNR-HMMYKYKNSA-N- Molecular formula
- C20H40O
- Average molar mass
- 296.5 g/mol
- Monoisotopic mass
- 296.3079159
Overview
3,7,11,15-tetramethylhexadec-2-en-1-ol has been reported in Excoecaria acerifolia, Artemisia carvifolia, and other organisms with data available.
Names & identifiers
- Preferred name
- 3,7,11,15-Tetramethyl-2-hexadecen-1-OL
- IUPAC
- (E)-3,7,11,15-tetramethylhexadec-2-en-1-ol
- English name
- 3,7,11,15-Tetramethyl-2-hexadecen-1-ol
- Molecular formula
- C20H40O
- Molecular weight
- 296.53
Names & synonyms
7541-49-33,7,11,15-TETRAMETHYL-2-HEXADECEN-1-OL2-hexadecen-1-ol, 3,7,11,15-tetramethylRefChem:9107543,7,11,15-Tetramethylhexadec-2-en-1-ol(E)-3,7,11,15-tetramethylhexadec-2-en-1-ol(2E)-3,7,11,15-tetramethylhexadec-2-en-1-ol253686-88-3MFCD00002919AI3-36488Vitamin K1 Impurity 183(E)-3,7,11,15-tetramethyl-2-hexadecen-1-ol
Show more names
Imidaprilat Impurity 13,7,11,15-Tetramethyl-2-hex3,7,11,15-tetramethylhexadec-1-en-2-ol1-Hexadecen-2-ol, 3,7,11,15-tetramethyl-
Phytol, >=97%, FGSCHEMBL95475(2E)-3,7,11,15-Tetramethyl-2-hexadecen-1-ol3,7,11,15-teramethyl-2-hexadecene-1-ol-, (2E,7R,11R)-3,7,11,15-Tetramethyl-2-hexadecen-1-ol-, (2E,7R,11R)-CHEMBL390773HMS5084L073,7,11,15-Tetramethyl-2-hexadecen-1-ol (mixture of isomers)
Database identifiers
- CAS
102608-53-7、7541-49-3- PubChem CID
Properties
Computed structural properties
- XLogP
- 8.2
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 13
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 255
Experimental & physicochemical properties
FragrancesFragrance Ingredient (2-Hexadecen-1-ol, 3,7,11,15-tetramethyl-) -> IFRA transparency List
Physicochemical properties
- Boiling point
- 202 · 202-204 °C10 mm Hg(lit.)
- Density
- 0.85 g/mL · 0.85 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.463(lit.)
- Flash point
- 230 °F · >230 °F
- pka
- 10.88 · 10.88±0.50(Predicted)
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
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 0.8% (1 of 121) of reports.
Warning
H315 (99.2%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 121 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
REACH registered substance: 2-Hexadecen-1-ol, 3,7,11,15-tetramethyl- (EC: 616-221-6)
2-Hexadecen-1-ol, 3,7,11,15-tetramethyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesSkin Irrit. 2 (99.2%)
Safety data
- wgk
- 3
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
Chemistry & industry
Uses & manufacturing
Use ClassificationFragrance Ingredients
General Manufacturing Information2-Hexadecen-1-ol, 3,7,11,15-tetramethyl-: ACTIVE
Applications
Uses3,7,11,15-Tetramethyl-2-hexadecen-1-ol is an intermediate for the synthesis of vitamin E and vitamin K1, which can be used as nutritional additives, food stabilizers, color retention agents, and colorants.
Suppliers21 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Sinoway Industrial co., ltd.+86-0592-5800732 +86-13806035118 · [email protected]
武汉绿景丰华生物科技有限公司19972070065 · [email protected]
湖北辰心化工有限公司18696113233 · [email protected]
江西瑞威尔生物科技有限公司18502762009 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
常州安奈凯医药科技有限公司+86-0519-8359-8696 · [email protected]
湖北魏氏化学试剂股份有限公司13125137732 18686406941 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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