Basic information
- CAS
5502-94-3- Standard SMILES
CCC(C)CCCCCCCCCCC(=O)O- InChIKey
XKLJLHAPJBUBNL-UHFFFAOYSA-N- Molecular formula
- C15H30O2
- Average molar mass
- 242.4 g/mol
- Monoisotopic mass
- 242.2245802
Overview
12-methyltetradecanoic acid is a branched-chain saturated fatty acid comprising tetradecanoic acid carrying a 12-methyl substituent. It is a long-chain fatty acid and a branched-chain saturated fatty acid.
Names & identifiers
- Preferred name
- Anteisopentadecanoic Acid
- IUPAC
- 12-methyltetradecanoic acid
- English name
- 12-METHYLTETRADECANOIC ACID
- Molecular formula
- C15H30O2
- Molecular weight
- 242.4
Names & synonyms
12-Methyltetradecanoic acid5502-94-3Sarcinic acid12-methyl myristic acidanteiso-C15:012-methyl-tetradecanoic acidANTEISOPENTADECANOIC ACID12-MTAanteiso-15:0Anteiso-Pentadecanoic AcidCHEBI:39251DTXSID10970381
Show more names
aseanostatin P5ANTEISO C15 ACID12-Methyltetradecanoic acid (Sarcinic acid)
RefChem:1077031DTXCID70949215637-235-9Tetradecanoic acid, 12-methyl-methyl myristic acid12-methylmyristic acidTP0OL0Z8US(S)-Aseanostatin P5
Database identifiers
- CAS
5502-94-3- PubChem CID
- 21672
- DTXSID
DTXSID10970381- ChEMBL
CHEMBL495852- ChEBI
CHEBI:39251- UNII
- TP0OL0Z8US
- EC Number
- 637-235-9
- Nikkaji
- J175.464E、J387.978J
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 12
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 178
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Branched fatty acids [FA0102]
CosmeticsCosmetic ingredients (Methyl Myristic Acid) -> CIR (Cosmetic Ingredient Review)
Physicochemical properties
- Melting point
- 23 °C · 23 °C
- Boiling point
- 333.77 °C · 333.77°C (estimate)
- Density
- 0.8666 · 0.8666 (rough estimate)
- refractive index
- 1.4343 · 1.4343 (estimate)
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform: soluble; Ethanol: soluble; Ether: soluble
- pka
- 4.78 · 4.78±0.10(Predicted)
- form
- Liquid
- InChI
- 1S/C15H30O2/c1-3-14(2)12-10-8-6-4-5-7-9-11-13-15(16)17/h14H,3-13H2,1-2H3,(H,16,17)
- InChIKey
- XKLJLHAPJBUBNL-UHFFFAOYSA-N
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]
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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (97.5%)
Toxicology
Toxicity Summary
The CIR Expert Panel concluded that the following ingredients are safe in the present practices of use andconcentration described in the safety assessment when formulated to be non-irritating and non-sensitizing, which may be basedon a QRA...Methyl Myristic Acid...
Safe for use in cosmetics, with qualifications
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- Storage Class
Chemistry & industry
Uses & manufacturing
UsesCIR ingredient: Methyl Myristic Acid
Applications
Uses12-Methyltetradecanoic acid is an anteiso-C(15)-fatty acid used in studies on the properties and functions of medium-chain anteiso-fatty acids.
Suppliers16 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
宜昌众意泰贸易有限公司0717-6449896 13886658719 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
成都格里迈特医药技术有限公司17308078590; 15928855497 · [email protected]
成都卡麦尔医药科技有限公司028-67136579 15828051124 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
上海宏叶生物科技有限公司400-9205774 400-920-5774 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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