Basic information
- CAS
66990-30-5- Standard SMILES
CCCCCCCCCCC#CC#CCCCCCCCCC(=O)O- InChIKey
DIEDVCMBPCRJFQ-UHFFFAOYSA-N- Molecular formula
- C23H38O2
- Average molar mass
- 346.5 g/mol
- Monoisotopic mass
- 346.28718046
Overview
10,12-tricosadiynoic acid is a very long-chain fatty acid.
Names & identifiers
- Preferred name
- 10,12-Tricosadiynoic Acid
- IUPAC
- tricosa-10,12-diynoic acid
- English name
- 10,12-TRICOSADIYNOIC ACID
- Molecular formula
- C23H38O2
- Molecular weight
- 346.55
Names & synonyms
10,12-Tricosadiynoic acid66990-30-5DTXSID40337084RefChem:77386DTXCID30288172677-355-9tricosa-10,12-diynoic acid10,12-TricosadiynoicacidMFCD0004168310,12- Tricosadiynoic acidSCHEMBL302150orb1219960
Show more names
TIMTEC-BB SBB00903610,12-Tricosadiynoicaci10,12-Tricosadiynoic acid - [T94776]10,12-Tricosadiynoic acid >=98.0% (GC)10,12-TRICOSADIYNOIC ACID, 97%10,12-TRICOSADIYNOIC ACID, 97%10,12-TRICOSADIYNOIC ACID, 97%10,12-TRICOSADIYNOIC ACID, 97%10,12-Tricosadiynoic acid,ROS,mono- acylglycerol acyltransferase,10,12Tricosadiynoic acid,fatty,Diacylglycerol acyltransferase,SIRT1-AMPK,Diglyceride acyltransferase,metabolic,mitochondrial,oxidation,insulin,10,12 Tricosadiynoic acid,inhibit,triglyceride,Inhibitor,Acyltransferase,acyl-CoA:cholesterol acyltransferase,acid
orb1310076CHEBI:190947SBB009036AKOS015839844PD127433HY-135425CS-011275410,12-Tricosadiynoic acid, >=98.0% (GC)
Properties
Computed structural properties
- XLogP
- 8.3
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 17
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 438
Physicochemical properties
- Melting point
- 56 · 56-60 °C
- storage temp.
- Refrigerator
- solubility
- 100 mg/mL · DMSO : 100 mg/mL (288.56 mM）
- form
- Solid
- color
- White to off-white
- Water Solubility
- Insoluble in water.
- Sensitive
- Light Sensitive
- BRN
- 1880414 · 1880414
- InChI
- 1S/C23H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25/h2-10,15-22H2,1H3,(H,24,25)
- InChIKey
- DIEDVCMBPCRJFQ-UHFFFAOYSA-N
- SMILES
- CCCCCCCCCCC#CC#CCCCCCCCCC(O)=O
- CAS DataBase Reference
- 66990 · 66990-30-5(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- F
- 10-23
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 29161900
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 22-24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Applications
UsesIt is an active pharmaceutical intermediate.
Upstream & downstream products
Upstream raw materials
Suppliers62 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
Related reactions
14 records
Compound notes
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