Basic information
- CAS
110-36-1- Standard SMILES
CCCCCCCCCCCCCC(=O)OCCCC- InChIKey
DHAZIUXMHRHVMP-UHFFFAOYSA-N- Molecular formula
- C18H36O2
- Average molar mass
- 284.5 g/mol
- Monoisotopic mass
- 284.27153039
Overview
butyl myristate has been reported in Mangifera indica with data available.
Names & identifiers
- Preferred name
- Butyl Myristate
- IUPAC
- butyl tetradecanoate
- English name
- Myristic acid n-butyl ester
- Molecular formula
- C18H36O2
- Molecular weight
- 284.48
Names & synonyms
BUTYL MYRISTATEButyl tetradecanoateMyristic acid n-butyl esterTetradecanoic acid, butyl esterBumyrButyl n-tetradecanoateMyristic acid, butyl esterWickenol 141n-Butyl myristateCrodamol BMNSC 4814n-Butyl tetradecanoate
Show more names
Wickenolwickenol141Butylmyristatn-Butylmyristat
BRN 1782649Nikkol BMNSC-4814EINECS 203-759-8UNII-O061W4C37HAI3-07958O061W4C37HBUTYL MYRISTATE [INCI]
Database identifiers
- CAS
110-36-1- PubChem CID
- 8047
- DTXSID
DTXSID4038716- ChEMBL
CHEMBL206900- UNII
- O061W4C37H
- EC Number
- 203-759-8
- Nikkaji
- J150.309J
Properties
Computed structural properties
- XLogP
- 7.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 16
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 202
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Esters, Other
Cosmetics
Cosmetic ingredients (Butyl Myristate) -> CIR (Cosmetic Ingredient Review)
Emollient
Physical Description
Liquid
Colorless liquid; [Alfa Aesar MSDS]
Collision Cross Section177.6 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID4038716]
Physicochemical properties
- Melting point
- 6.8 °C · 6.8°C
- Boiling point
- 195 °C · 195 °C / 18mmHg
- Density
- 0 · 0,86 g/cm3
- refractive index
- 1.438 to · 1.4380 to 1.4410
- Flash point
- 166 °C · 166°C
- form
- clear liquid
- color
- Colorless to Almost colorless
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 2.5% (1 of 40) of reports.
Warning
H315 (97.5%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P280, P302+P352, P321, P332+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Tetradecanoic acid, butyl ester
Tetradecanoic acid, butyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Tetradecanoic acid, butyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Tetradecanoic acid, butyl ester: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to human health
Hazards SummaryA moderate skin irritant; [RTECS] A moderate skin and eye irritant; [Alfa Aesar MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (97.5%)
Safety & protection
Protective Action Criteria (PAC)
24 [mg/m3]
260 [mg/m3]
1600 [mg/m3]
Chemistry & industry
Uses & manufacturing
UsesCIR ingredient: Butyl Myristate
U.S. Production2023: 29,667 lb
Industry UsesNot Known or Reasonably Ascertainable
Use ClassificationCosmetics -> Emollient
General Manufacturing Information
Not Known or Reasonably Ascertainable
Tetradecanoic acid, butyl ester: ACTIVE
Applications
UsesMYRISTIC ACID N-BUTYL ESTER is occasionally used in perfumery to introduce fatty, Orris-like notes or flower-wax notes in floral bases, artificial flower absolutes, etc. Occasionally used in flavor compositions for imitation Cognac and Nutmeg, again mainly for its peculiar fatty notes.
Suppliers68 total
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
深圳市星凯越生物科技有限公司0755-18589069862 18589069862 · [email protected]
成都超九八生物科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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