Basic information
- CAS
5204-64-8- Standard SMILES
CC=CCC(=O)O- InChIKey
UIUWNILCHFBLEQ-UHFFFAOYSA-N- Molecular formula
- C5H8O2
- Average molar mass
- 100.12 g/mol
- Monoisotopic mass
- 100.05242949
Names & identifiers
- Preferred name
- 3-Pentenoic acid
- IUPAC
- pent-3-enoic acid
- English name
- 3-Pentenoic acid
- Molecular formula
- C5H8O2
- Molecular weight
- 100.12
Names & synonyms
DTXSID001316753RefChem:1068460DTXCID201333195628-465-03-Pentenoic acid5204-64-8pent-3-enoic acidSCHEMBL34657SCHEMBL308543SCHEMBL3106657SCHEMBL11807920D92067
Show more names
CH3CH=CHCH2COOHRARECHEM AL BO 01693-PENTENOIC ACID 95+%1-Propenylacetic acidTRANS-3-PENTENOIC ACIDCGP 37849 ((E)-(±Ethylidenepropionic acid)-2-Amino-4-methyl-5-phosphono
Q27117611
Database identifiers
- CAS
5204-64-8- PubChem CID
- 21263
- DTXSID
DTXSID001316753- EC Number
- 628-465-0
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 84
Physicochemical properties
- Melting point
- 20.44 °C · 20.44°C (estimate)
- Boiling point
- 192 · 192-194 °C (lit.)
- Density
- 0.986 g/mL · 0.986 g/mL at 20 °C (lit.)
- refractive index
- 20 · n20/D 1.435
- Flash point
- 95 °C · 95 °C
- pka
- 4.52 · 4.52±0.10(Predicted)
- form
- liquid
- color
- Colorless
- BRN
- 1743187 · 1743187
- InChI
- 1S/C5H8O2/c1-2-3-4-5(6)7/h2-3H,4H2,1H3,(H,6,7)/b3-2+
- InChIKey
- UIUWNILCHFBLEQ-NSCUHMNNSA-N
- SMILES
- C\C=C\CC(O)=O
- LogP
- 0.835 · 0.835 (est)
- 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
- F
- 10 · 10-23
- Storage Class
- 8 A · 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- 1 B · Skin Corr. 1B
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 41 reports by companies from 1 notifications to the ECHA C&L Inventory.；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
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- F
- 10-23
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 3265 8/PG 3
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- Storage Class
- 8A - Combustible corrosive hazardous materials
- Hazard statements
- H314
- Hazard Classifications
- Skin Corr. 1B
- Precautionary statements
- P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers18 total
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
南京世洲生物科技有限公司13675144456 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [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]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
山东西亚化学有限公司4009903999 13395398332 · [email protected]
BOC Sciences[email protected]
山东小野化学股份有限公司0539-6362799 20）
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
广东翁江化学试剂有限公司0751-2815688 13927872512 · [email protected]
山东天铭生物科技发展有限责任公司400-9019001 400-901-9001
重庆卡兰医药有限公司[email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Additional notes
DefinitionChEBI: A pentenoic acid having the double bond at position 3.
Related reactions
4 records
Compound notes
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