Basic information
- CAS
1119-60-4- Standard SMILES
C=CCCCCC(=O)O- InChIKey
RWNJOXUVHRXHSD-UHFFFAOYSA-N- Molecular formula
- C7H12O2
- Average molar mass
- 128.17 g/mol
- Monoisotopic mass
- 128.08372962
Overview
Hept-6-enoic acid is a heptenoic acid with the double bond at position 6.
Names & identifiers
- Preferred name
- 6-Heptenoic acid
- IUPAC
- hept-6-enoic acid
- English name
- 6-Heptenoic acid
- Molecular formula
- C7H12O2
- Molecular weight
- 128.17
Names & synonyms
6-Heptenoic acidHept-6-enoic acidepsilon-heptenoic acidTZY1TN97UHUNII-TZY1TN97UHCHEBI:38363DTXSID80149769C7:1n-1EINECS 214-283-5RefChem:104677DTXCID1072260RWNJOXUVHRXHSD-UHFFFAOYSA-N
Show more names
Hept-6-enoicaciRARECHEM AL BO 13616-Heptenoic acid 99%Hept-6-enoic acid,97%(stabilized with MEHQ)
1119-60-4MFCD00014382SCHEMBL335817LMFA01030016AKOS006221238AS-49569CS-0097711EN300-160225
Database identifiers
- CAS
1119-60-4- PubChem CID
- 70705
- DTXSID
DTXSID80149769- ChEBI
CHEBI:38363- UNII
- TZY1TN97UH
- EC Number
- 214-283-5
- Nikkaji
- J98.018H
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 97.1
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Unsaturated fatty acids [FA0103]
Physicochemical properties
- Melting point
- -6.5 °C · -6.5 °C (lit.)
- Boiling point
- 222 · 222-224 °C (lit.)
- Density
- 0.946 g/mL · 0.946 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.439(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 2 · 2-8°C
- pka
- 4.75 · 4.75±0.10(Predicted)
- form
- liquid
- color
- Colourless to light yellow
- Water Solubility
- Miscible with water.
- BRN
- 1747265 · 1747265
- InChI
- InChI=1S/C7H12O2/c1-2-3-4-5-6-7(8)9/h2H,1,3-6H2,(H,8,9)
- InChIKey
- RWNJOXUVHRXHSD-UHFFFAOYSA-N
- SMILES
- C(O)(=O)CCCCC=C
- LogP
- 1.93 · 1.930 (est)
- FDA UNII
- 1 TN97UH · TZY1TN97UH
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 280 · P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- Hazard Codes
- C
- Risk Statements
- 34 · 34
- Safety Statements
- 26 · 26-36/37/39-45
- RIDADR
- 3265 · UN 3265 8/PG 3
- WGK Germany
- 3 · 3
- HazardClass
- 8 · 8
- PackingGroup
- II
- HS Code
- 2916199590 · 2916199590
- Storage Class
- 8 A · 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- 1 B · Skin Corr. 1B
- Limited Quantities
- 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
GHS classification
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 3265 8/PG 3
- hs_code
- 2916199590
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- II
- Hazard statements
- H314
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Hazard Classifications
- Skin Corr. 1B
- Precautionary statements
- P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405
Chemistry & industry
Applications
Uses6-Heptenoic acid may be used in the preparation of 6-(iodomethyl)-hexanolide, via iodo-lactonization.
General Description6-Heptenoic acid is a straight-chain terminal alkenoic acid. Electrochemical oxidation of 6-heptenoic acid adsorbed on Pt(111) electrode surface has been reported. Preparation of 6-heptenoic acid has been reported.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers70 total
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [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]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
Aladdin Scientific[email protected]
淮安嘉目生物科技有限公司0517-83187139 18205232085 · [email protected]
Syntechem Co.,Ltd[email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
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Dalian Ruiying Technology Co., Ltd.+86-0411-86907150 +86-15940963210 · [email protected]
湖北成海化工有限公司027-59220433 18327245847 · [email protected]
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
上海钰康生物科技有限公司15618758386 15618758386 · [email protected]
谱尼生物医药科技（上海）有限公司021-021-64851999-6515-6515 13817808647 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [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]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
Chongqing jooe co., ltd+86-15223382610 · [email protected]
合肥纳禾生物科技有限公司0551-65629887 18010855303 · [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]
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上海昕凯医药科技有限公司21-619849051-1 18521059765 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
郑州九亿时光新材料有限公司+86-15225627621 +86-13213167925 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
上海珈得尔化学技术有限公司021-4007787-550 400-7787-550 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
湖北美钡新材料有限公司18271819653 · [email protected]
成都沸柏医药科技有限公司028-84641798 18782128315 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
上海瀚思化工有限公司17717618050 · [email protected]
上海韶屹生物科技有限公司21-21-31590156 13042155638 · [email protected]
BOC Sciences[email protected]
河南安基化工科技有限公司17836913271
上海贤鼎生物科技有限公司021-021-52271985 17721149837 · [email protected]
安徽宏瀚研新药业有限公司0551-62626652 19334025048
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
湖北恒绿源科技有限公司027-027-88188016 18062414339 · [email protected]
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
Additional notes
DefinitionChEBI: 6-Heptenoic acid is a heptenoic acid with the double bond at position 6.
Related reactions
24 records
Compound notes
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