Basic information
- CAS
14436-32-9- Standard SMILES
C=CCCCCCCCC(=O)O- InChIKey
KHAVLLBUVKBTBG-UHFFFAOYSA-N- Molecular formula
- C10H18O2
- Average molar mass
- 170.25 g/mol
- Monoisotopic mass
- 170.13067981
Names & identifiers
- Preferred name
- 9-Decenoic acid
- IUPAC
- dec-9-enoic acid
- English name
- 9-Decenoic acid
- Molecular formula
- C10H18O2
- Molecular weight
- 170.25
Names & synonyms
9-Decenoic aciddec-9-enoic acidCaproleic acidFEMA No. 3660UNII-U2E27P3TGKU2E27P3TGK9Z-DECENOIC ACIDEINECS 238-410-99-DECENOIC ACID [FHFI]CHEBI:32381FEMA 3660DTXSID30162685
Show more names
Decenoicacid9-Decensureec-9-enoicaci9-decene-1-acidFEMA NUMBER 36609-DecenoicAcid>
C10:1n-1Dec9enoic acidRefChem:107836DTXCID9085176238-410-9KHAVLLBUVKBTBG-UHFFFAOYSA-N14436-32-99-decylenic acid
Database identifiers
- CAS
14436-32-9- PubChem CID
- 61743
- DTXSID
DTXSID30162685- ChEBI
CHEBI:32381- UNII
- U2E27P3TGK
- EC Number
- 238-410-9
- Nikkaji
- J81.770H
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 130
Physicochemical properties
- Melting point
- 26.5 °C · 26.5°C
- Boiling point
- 270 °C · 270 °C (lit.)
- Density
- 0.918 g/mL · 0.918 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.447(lit.)
- FEMA
- 3660 · 3660 | 9-DECENOIC ACID
- FLAVIS Number
- 8.065 · 08.065 | Dec-9-enoic acid
- Flash point
- 230 °F · >230 °F
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Sparingly), Methanol (Slightly)
- pka
- 4.78 · 4.78±0.10(Predicted)
- color
- Colourless
- Odor
- 10 % · at 10.00 % in dipropylene glycol. waxy green fruity fatty soapy
- Odor Type
- waxy
- biological source
- synthetic
- JECFA Number
- 328 · 328
- Major Application
- flavors and fragrances
- InChI
- 1S/C10H18O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2H,1,3-9H2,(H,11,12)
- InChIKey
- KHAVLLBUVKBTBG-UHFFFAOYSA-N
- SMILES
- OC(=O)CCCCCCCC=C
- LogP
- 3.46 · 3.46
- Substances Added to Food (formerly EAFUS)
- 9 · 9-DECENOIC ACID
- CAS DataBase Reference
- 14436 · 14436-32-9(CAS DataBase Reference)
- FDA UNII
- 2 E27P3TGK · U2E27P3TGK
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- RIDADR
- 3265 · UN 3265 8/PG 2
- WGK Germany
- 3 · 3
- HS Code
- 2916.19 · 2916.19.3000
- HazardClass
- IRRITANT
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 3265 8/PG 2
- hs_code
- 2916.19.3000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- IRRITANT
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
OccurrenceReported found in butterfat, Swiss, blue, cheddar, Romano, and Parmesan cheeses and goat, sheep and other cheeses, mutton, hop oil, beer, white and red wine.
Uses9-Decenoic Acid is used to prepare epothilones A and B via macroaldolization, olefin metathesis and macrolactonization. It is also used to synthesize potent, selective, and efficacious reversible α-ketoheterocycle inhibitors of fatty acid amide hydrolase effective as analgesics.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
合肥曼奇诺生物医药技术有限公司19719236623 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
南通腾隆生物科技有限公司0513-13361831033 13361831033 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
湖北云镁科技有限公司027-59206672 18995657604 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
上海颖心实验室设备有限公司021-59178156 17002132182 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
武汉市聚舜化工有限公司027-02783261126 18971318572 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
吉良化学21-62165282 · [email protected]
天津诺康医药科技有限公司022-23989838 13810451150 · [email protected]
上海健超生物科技有限公司15021035486 18081542813 · [email protected]
上海钰康生物科技有限公司15618758386 15618758386 · [email protected]
苏州维他化学有限公司0512-58277800 13776257979 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
上海敏寒医药科技有限公司17612188245 · [email protected]
镇江卡博医药科技有限公司0511-81886918 18136818960 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
康迪斯化工（湖北）有限公司13125172151 · [email protected]
南京多隆生物科技有限公司18905173768 · [email protected]
上海嵩爰化工科技有限公司010-1234567 18521000990 · [email protected]
南京恰风和医药科技有限公司025-57018978 18251899859 · [email protected]
合肥纳禾生物科技有限公司0551-65629887 18010855303 · [email protected]
安徽进博香料有限公司15102127101 15556562013 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
康迪斯化工(湖北)有限公司13343438265 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
上海谱振生物科技有限公司4001650900 13817534909 · [email protected]
湖北恒绿源科技有限公司027-88188016 18717196322 · [email protected]
荆州市尹杰化工有限公司18008658728 · [email protected]
上海炎泽化工有限公司15345144255 19901447308 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
Additional notes
DefinitionChEBI: A decenoic acid having the double bond at position 9.
Related reactions
14 records
Compound notes
Loading…