Basic information
- CAS
57-08-9- Standard SMILES
CC(=O)NCCCCCC(=O)O- InChIKey
WDSCBUNMANHPFH-UHFFFAOYSA-N- Molecular formula
- C8H15NO3
- Average molar mass
- 173.21 g/mol
- Monoisotopic mass
- 173.10519334
Names & identifiers
- Preferred name
- 6-Acetylaminocaproic acid
- IUPAC
- 6-acetamidohexanoic acid
- English name
- 6-Acetamidohexanoic acid
- Molecular formula
- C8H15NO3
- Molecular weight
- 173.21
Names & synonyms
6-(Acetylamino)hexanoic acid6-Acetylaminocaproic acidepsilon-acetylaminocaproic acidN-acetylamino-6-hexanoic acidRefChem:1092156-Acetamidohexanoic acidacexamic acid57-08-9Hexanoic acid, 6-(acetylamino)-Plastenan6-Acetamidocaproic acidAcide acexamique
Show more names
AACAe-Acetamidocaproic Acid6-acetylaminocaproicacid6-ACETAMINOHEXANOIC ACID
Acetaminocaproic acidCY 153AceminAEAH (base)Acido acexamicoN-Acetyl-6-aminohexanoic acidN-Acetyl-.epsilon.-aminocaproic acid.epsilon.-Acetamidocaproic acid
Database identifiers
- CAS
57-08-9- PubChem CID
- 2005
- DTXSID
DTXSID1045879- ChEMBL
CHEMBL2105922- ChEBI
CHEBI:134808- UNII
- 7IC4BO7D3R
- EC Number
- 200-310-8
- Nikkaji
- J4.575F
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 156
Experimental & physicochemical properties
Collision Cross Section141.4 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physicochemical properties
- Melting point
- 102 · 102-104 °C(lit.)
- Boiling point
- 303.86 °C · 303.86°C (rough estimate)
- Density
- 1.1599 · 1.1599 (rough estimate)
- refractive index
- 1.459 · 1.4590 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- DMSO (Sparingly), Methanol (Slightly)
- pka
- 4.75 · 4.75±0.10(Predicted)
- form
- Solid
- color
- White to Off-White
- Merck
- 14 · 14,45
- Cosmetics Ingredients Functions
- ANTIOXIDANT
- InChI
- InChI=1S/C8H15NO3/c1-7(10)9-6-4-2-3-5-8(11)12/h2-6H2,1H3,(H,9,10)(H,11,12)
- InChIKey
- WDSCBUNMANHPFH-UHFFFAOYSA-N
- SMILES
- C(O)(=O)CCCCCNC(C)=O
- LogP
- -0.5 · -0.500 (est)
- CAS DataBase Reference
- 57 · 57-08-9(CAS DataBase Reference)
- FDA UNII
- 7 IC4BO7D3R · 7IC4BO7D3R
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317-H319
- Precautionary statements
- 280 · P280-P305+P351+P338
- Safety Statements
- 24 · 24/25
- WGK Germany
- 3 · 3
- HS Code
- 29241900 · 29241900
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 50% (2 of 4) of reports.
Danger
H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 2 of 4 reports by companies.；There are 2 notifications provided by 2 of 4 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory Information
Chemical: Hexanoic acid, 6-(acetylamino)-
Status: Active Update: 07-02-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/30101
Hazard Classes and CategoriesSkin Irrit. 2 (50%)；Eye Dam. 1 (50%)；STOT SE 3 (50%)
Regulatory information
Regulatory Information
Chemical: Hexanoic acid, 6-(acetylamino)-
Status: Active Update: 07-02-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/30101
Safety data
- wgk
- 3
- hs_code
- 29241900
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Hazard statements
- H317-H319
- REACH Registrations
- Active
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Anti-inflammatory agents that are non-steroidal in nature. In addition to anti-inflammatory actions, they have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins. Inhibition of prostaglandin synthesis accounts for their analgesic, antipyretic, and platelet-inhibitory actions; other mechanisms may contribute to their anti-inflammatory effects.
Applications
Useswound healing agent
Uses6-Acetamidohexanoic acid is used after oral administration of an antiulcer agent, zinc acexamate (ZAC) for treatment of gastric ulcer or small bowel inflammation.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers90 total
陕西科贝莱药物研发有限公司13119135307 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
湖北宥澄新材料科技有限公司17764017698 13163370568 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Shaanxi Cuikang Pharmaceutical Technology Co., Ltd+86-13119157289 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
湖北威德利化学试剂有限公司17771473825 13385289472 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
湖北魏氏化学试剂股份有限公司027-59102966 18717199209 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
ChemeGen 中国18818260767 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
ZHEJIANG JIUZHOU CHEM CO., LTD+86-0576225566889 +86-13454675544 · [email protected]；[email protected]；[email protected]
斯百全化学（上海）有限公司021-021-021-67601398-809-809-809 15221380277 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13376591640 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
Qingdao Dexin Chemical Co., Ltd+86-15553333686 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
四川安派博生物科技有限公司028-65294243 18682730901 · [email protected]
上海馨远医药科技有限公司021-24206007 13764915196 · [email protected]
上海永叶生物科技有限公司86-021-61559134 15921386130 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
杭州凯邦生物科技有限公司0571-88937695 88937835 13606537248 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
广东翁江化学试剂有限公司0751-2886766 13927870850 · [email protected]
湖北魏氏化学试剂股份有限公司13125137732 18686406941
湖北辰心化工有限公司17362916295
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
Qiuxian Baitai New Material Co., LTD+86-19932103556 · [email protected]
启源（广东）医药化工有限公司18026564465 · [email protected]
上海珞珐生化科技有限公司021-51111890 15317326293 · [email protected]
湖北美钡新材料有限公司18271819653 · [email protected]
郑州阿尔法化工有限公司0371-53765687 18937137882 · [email protected]
广州市齐云生物技术有限公司020-61288194 61288195 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
上海超岚化工科技中心（原上海巢莱）0-2022843681 15618226720 · [email protected]
Additional notes
DefinitionChEBI: Acexamic acid is a medium-chain fatty acid.
Related reactions
6 records
Compound notes
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