Basic information
- CAS
469-77-2- Standard SMILES
CCCCCCCCCC[C@H](C(=O)O)[C@]1(C(=O)O)CCC(=O)O1- InChIKey
TUXHHVJPGQUPCF-DYVFJYSZSA-N- Molecular formula
- C17H28O6
- Average molar mass
- 328.4 g/mol
- Monoisotopic mass
- 328.18858861
Overview
(-)-Spiculisporic acid is a carbonyl compound.
Names & identifiers
- Preferred name
- Supiculisporic Acid
- IUPAC
- (2S)-2-[(1S)-1-carboxyundecyl]-5-oxooxolane-2-carboxylic acid
- English name
- Spiculisporic acid
- Molecular formula
- C17H28O6
- Molecular weight
- 328.4
Names & synonyms
Spiculisporic acid469-77-2Supiculisporic Acid(-)-Spiculisporic acidDKW7X62M6XNSC 244387(2S)-2-[(1S)-1-carboxyundecyl]-5-oxooxolane-2-carboxylic acidDTXSID6041135(ALPHAS,2S)-2-CARBOXY-ALPHA-DECYLTETRAHYDRO-5-OXO-2-FURANACETIC ACIDNSC-2443872-Furanacetic acid, 2-carboxy-alpha-decyltetrahydro-5-oxo-(S-(R*,R*))-2-Carboxy-alpha-decyltetrahydro-5-oxo-2-furanacetic acid
Show more names
4,5-Dicarboxy-γDicarboypentadecanolactone4,5-DICARBOXY-4-PENTADECANOLIDE4,5-Dicarboxy-γ-pentadecanolactoneinhibit,Spiculisporic Acid,Inhibitor4,5-Dicarboxy-γ-pentadecanolactone>4,5-Dicarboy-gamma-pentadecanolactone4,5-DICARBOXY-GAMMA-PENTADECANOLACTONE4,5-DICARBOXY-GAMMA-PENTADECANOLACTONE 97+%
2-Furanacetic acid, 2-carboxy-alpha-decyltetrahydro-5-oxo-, (S-(R*,R*))-2-FURANACETIC ACID, 2-CARBOXY-.ALPHA.-DECYLTETRAHYDRO-5-OXO-(.ALPHA.S,2S)-2-CARBOXY-.ALPHA.-DECYLTETRAHYDRO-5-OXO-2-FURANACETIC ACID2-FURANACETIC ACID, 2-CARBOXY-.ALPHA.-DECYLTETRAHYDRO-5-OXO-, (.ALPHA.S,2S)-2-FURANACETIC ACID, 2-CARBOXY-.ALPHA.-DECYLTETRAHYDRO-5-OXO-, (S-(R*,R*))-(2S)-2-((1S)-1-carboxyundecyl)-5-oxooxolane-2-carboxylic acidRefChem:890058DTXCID4021135
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 419
Physicochemical properties
- Melting point
- 145 °C · 145 °C
- Boiling point
- 549 · 549.0±35.0 °C(Predicted)
- Density
- 1.163 · 1.163±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- 30 mg/ml; · DMF: 30 mg/ml; DMSO: 30 mg/ml; Ethanol: 30 mg/ml
- pka
- 2.13 · 2.13±0.20(Predicted)
- form
- powder to crystal
- color
- White to Light yellow
- Cosmetics Ingredients Functions
- ANTIMICROBIALSKIN CONDITIONING - HUMECTANTEXFOLIATINGSURFACTANT - EMULSIFYING
- FDA UNII
- 7 X62M6X · DKW7X62M6X
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- HS Code
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
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
- hs_code
- 2932.20.5050
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Applications
UsesSpiculisporic acid is a γ-butenolide isolated from the cultue of Aspergillus sp[1]. Spiculisporic acid is a microbial biosurfactant and has anti-oxidative stress actions[2].
Suppliers34 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海赛可锐生物科技有限公司021-58000709 13120558703 · [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]
上海维亦特生物科技有限公司15317051735 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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