Basic information
- CAS
19781-81-8- Standard SMILES
CCC#CCC(C)O- InChIKey
CXVIEBMEWKSONY-UHFFFAOYSA-N- Molecular formula
- C7H12O
- Average molar mass
- 112.17 g/mol
- Monoisotopic mass
- 112.088815
Names & identifiers
- Preferred name
- Hept-4-yn-2-ol
- IUPAC
- hept-4-yn-2-ol
- English name
- 4-HEPTYN-2-OL
- Molecular formula
- C7H12O
- Molecular weight
- 112.17
Names & synonyms
4-Heptyn-2-olHept-4-yn-2-ol19781-81-8EINECS 243-309-8AI3-37217CXVIEBMEWKSONY-UHFFFAOYSA-DTXSID50941570Hept4yn2olRefChem:783563DTXCID201369996243-309-8InChI=1/C7H12O/c1-3-4-5-6-7(2)8/h7-8H,3,6H2,1-2H3
Show more names
4-Heptyn-2-ol>Einecs 243-309-84-HEPTYN-2-OL, 97%4-HEPTYN-2-OL, 97%4-HEPTYN-2-OL, 97%
MFCD00041588Methyl 2-pentynyl carbinolSCHEMBL487731AKOS015841755AS-56579CS-0324057NS00047676D90879
Database identifiers
- CAS
19781-81-8- PubChem CID
- 89225
- DTXSID
DTXSID50941570- EC Number
- 243-309-8
- Nikkaji
- J150.545I
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 104
Experimental & physicochemical properties
PolymersOther Classes -> Alcohols and Polyols, Other
Physical DescriptionColorless or pale yellow liquid; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- -20.62 °C · -20.62°C (estimate)
- Boiling point
- 68 °C · 68°C 14mm
- Density
- 0 · 0,88 g/cm3
- refractive index
- 1.4515 · 1.4515
- Flash point
- 62 °C · 62°C
- pka
- 14.41 · 14.41±0.20(Predicted)
- BRN
- 2232633 · 2232633
- CAS DataBase Reference
- 19781 · 19781-81-8(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 227 · H227
- Precautionary statements
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Hazards SummaryMay cause irritation; [Alfa Aesar MSDS]
Safety data
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39
- Hazard statements
- H227
- Precautionary statements
- P210e-P280a-P370+P378a-P501a-P210-P280-P370+P378-P403+P235-P501
Chemistry & industry
Suppliers24 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
郑州德元凯化工有限公司17837139533 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [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]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TCI Europe320-37350700 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
南京艾比克斯生化科技有限公司025-87193546 18652950785 · [email protected]
上海鑫矽新材料有限公司13585834793 13660927110 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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