Basic information
- CAS
1569-50-2- Standard SMILES
C/C=C/C(C)O- InChIKey
GJYMQFMQRRNLCY-ONEGZZNKSA-N- Molecular formula
- C5H10O
- Average molar mass
- 86.13 g/mol
- Monoisotopic mass
- 86.07316494
Overview
3-Penten-2-ol has been reported in Mimusops elengi with data available.
Names & identifiers
- Preferred name
- (3E)-3-Penten-2-ol
- IUPAC
- (E)-pent-3-en-2-ol
- English name
- 3-Penten-2-ol 96% predominantly trans
- Molecular formula
- C5H10O
- Molecular weight
- 86.13
Names & synonyms
3899-34-1(3E)-3-Penten-2-olDTXSID501316091RefChem:1050211DTXCID209091873-PENTEN-2-OL(E)-pent-3-en-2-oltrans-3-Penten-2-ol3-Penten-2-ol, predominantly transMethyl 1-propenyl carbinolMFCD00004544(E)-3-Penten-2-ol
Show more names
Fr-21383-Penten-2-ol, (3E)-(±)-trans-pent-3-en-2-ol3-Penten-2-ol, predominantly3-Penten-2-ol, predominantly trans 96%3-Penten-2-ol 96% predominantly trans3-PENTEN-2-OL 96% PREDOMINANTLY TRANS ISO 9001：2015 REACH
.alpha.,.gamma.-Dimethylallyl alcoholMethyl propenyl carbinol(3E)-pent-3-en-2-ol3-pentene-2-olEINECS 216-376-6AI3-286073-Penten-2-ol (trans)3-Penten-2-ol,cis+trans
Database identifiers
- CAS
1569-50-2、3899-34-1- PubChem CID
- 5366239
- DTXSID
DTXSID501316091- EC Number
- 609-603-9
- Nikkaji
- J138D、J432.479J
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 47.9
Physicochemical properties
- Melting point
- 14.19 °C · 14.19°C (estimate)
- Boiling point
- 119 · 119-121 °C(lit.)
- Density
- 0.843 g/mL · 0.843 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.428(lit.)
- Flash point
- 82 °F · 82 °F
- storage temp.
- 2 · 2-8°C
- pka
- 14.77 · 14.77±0.20(Predicted)
- InChI
- 1S/C5H10O/c1-3-4-5(2)6/h3-6H,1-2H3/b4-3+
- InChIKey
- GJYMQFMQRRNLCY-ONEGZZNKSA-N
- SMILES
- C\C=C\C(C)O
- LogP
- 0.99 · 0.990 (est)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02
- Signal word
- Warning
- Hazard statements
- 226 · H226
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 1987 3/PG 3
- risk_code
- 10
- Signal word
- Warning
- Symbol(GHS)
- GHS02
- safety_code
- 23-24/25
- Storage Class
- 3 - Flammable liquids
- Hazard statements
- H226
- Hazard Classifications
- Flam. Liq. 3
Chemistry & industry
Applications
Uses3-Penten-2-ol is a constituent of the kiwi fruit that can be analysed by multidimensional gas chromatography-olfactometry (GC-O).
General Description3-Penten-2-ol is an alcohol prepared by the inoculation of biofilms of M. mesophilicum with P. viridicatum.
Suppliers14 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
Aladdin Scientific[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]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
陕西缔都医药化工有限公司+86-029-81138252 +86-173 9270 1263 · [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]
上海百韧生物科技有限公司13564638271 · [email protected]
BOC Sciences[email protected]
南京自在化工有限公司18061688856 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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