Cas no 3302-10-1 (3,5,5-Trimethylhexanoic acid)
3,5,5-Trimethylhexanoic acid structure
Product Name:3,5,5-Trimethylhexanoic acid
CAS No:3302-10-1
MF:C9H18O2
MW:158.238023281097
MDL:MFCD00020507
CID:44020
PubChem ID:90960
Update Time:2026-05-14
3,5,5-Trimethylhexanoic acid Chemical and Physical Properties
Names and Identifiers
-
- 3,5,5-Trimethylhexanoic acid
- Isononanoic acid
- 3,5,5-trimethyl-hexanoic acid
- 3,5,5-Trimethyl-hexansaeure
- 3,5,5-trimethyl-n-hexanoic acid
- Hexanoic acid,3,5,5-trimethyl
- iso-octanoic acid
- 3,5,5-Trimethylcaproic acid
- Kyowanoic N
- NSC 52185
- 3,5,5-Trimethyl-n-hexanoicacid
-
- MDL： MFCD00020507
- Inchi： 1S/C9H18O2/c1-7(5-8(10)11)6-9(2,3)4/h7H,5-6H2,1-4H3,(H,10,11)
- InChI Key： OILUAKBAMVLXGF-UHFFFAOYSA-N
- SMILES： CC(CC(=O)O)CC(C)(C)C
- BRN： 1749506
Computed Properties
- Exact Mass: 158.13100
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 4
- Complexity: 133
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- XLogP3: 2.8
- Topological Polar Surface Area: 37.3
Experimental Properties
- Color/Form: Colorless Transparent Liquid
- Density: 0,91 g/cm3
- Melting Point: -70°C
- Boiling Point: 120°C/13mmHg(lit.)
- Flash Point: 125°C
- Refractive Index: 1.4278-1.4298
- Solubility: Miscible with the usual organic solvents.
- Stability/Shelf Life: Stable. Incompatible with reactive metals, strong oxidizing agents.
- PSA: 37.30000
- LogP: 2.53340
- Solubility: Slightly soluble in water
3,5,5-Trimethylhexanoic acid Security Information
-
Symbol:
- Prompt：warning
- Signal Word：Danger
- Hazard Statement： H318,H315,H335
-
Warning Statement：
P280B,P305
P351
P338,P337
P313 - Hazardous Material transportation number：3265
- Hazard Category Code： R36/37/38
- Safety Instruction： S24/25
-
Hazardous Material Identification：
- Packing Group：III
- Hazard Level：8
- Safety Term：8
- Packing Group：III
- Risk Phrases：R36/37/38
- HazardClass：8
- PackingGroup：III
- TSCA：Yes
3,5,5-Trimethylhexanoic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | T819070-10L |
3,5,5-Trimethylhexanoic acid |
3302-10-1 | 97% | 10L |
2,760.00 | 2021-05-17 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | T22280-100ml |
3,5,5-Trimethylhexanoic acid |
3302-10-1 | 97% | 100ml |
￥68.0 | 2023-09-06 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | T22280-500ml |
3,5,5-Trimethylhexanoic acid |
3302-10-1 | 97% | 500ml |
￥198.0 | 2023-09-06 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | T22280-25ml |
3,5,5-Trimethylhexanoic acid |
3302-10-1 | 97% | 25ml |
￥28.0 | 2023-09-06 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | T22280-2.5L |
3,5,5-Trimethylhexanoic acid |
3302-10-1 | 2.5L |
￥778.0 | 2021-09-07 | ||
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R012762-100ml |
3,5,5-Trimethylhexanoic acid |
3302-10-1 | 97% | 100ml |
￥67 | 2024-05-24 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R012762-25ml |
3,5,5-Trimethylhexanoic acid |
3302-10-1 | 97% | 25ml |
￥34 | 2024-05-24 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R012762-500ml |
3,5,5-Trimethylhexanoic acid |
3302-10-1 | 97% | 500ml |
￥222 | 2024-05-24 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R012762-2.5L |
3,5,5-Trimethylhexanoic acid |
3302-10-1 | 97% | 2.5l |
￥782 | 2024-05-24 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | T106595-500ml |
3,5,5-Trimethylhexanoic acid |
3302-10-1 | 97% | 500ml |
￥236.90 | 2023-09-01 |
3,5,5-Trimethylhexanoic acid Suppliers
Suzhou Senfeida Chemical Co., Ltd
Gold Member
Audited Supplier
(CAS:3302-10-1)3,5,5-Trimethylhexanoic acid
Order Number:sfd18052
Stock Status:in Stock
Quantity:200kg
Purity:99%
Pricing Information Last Updated:Friday, 19 July 2024 14:38
Price ($):discuss personally
Email:[email protected]
Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
Audited Supplier
(CAS:3302-10-1)3,5,5-Trimethylhexanoic acid
Order Number:LE5148
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 11:46
Price ($):discuss personally
Email:[email protected]
3,5,5-Trimethylhexanoic acid Related Literature
-
Xiaojing Fu,Yuchan Han,Rui Chen,Qi Han,Rongfan Zhang,Jun Li React. Chem. Eng. 2022 7 2427
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2. Studies of hydrogen bonding in carboxylic acidsLeonard W. Reeves Trans. Faraday Soc. 1959 55 1684
-
Bieke Onghena,Eleonora Papagni,Ernesto Rezende Souza,Dipanjan Banerjee,Koen Binnemans,Tom Vander Hoogerstraete RSC Adv. 2018 8 32044
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4. 566. Compounds containing the 2 : 2 : 4-trimethylhexyl skeleton. Part IE. E. Turner,L. Turner J. Chem. Soc. 1951 2543
-
5. 913. Metal ions and complexes in organic reactions. Part V. Oxidations of primary and secondary amines with argentic picolinateR. G. R. Bacon,W. J. W. Hanna J. Chem. Soc. 1965 4962
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