Basic information
- Standard SMILES
C#CC(C)O- InChIKey
GKPOMITUDGXOSB-UHFFFAOYSA-N- Molecular formula
- C4H6O
- Average molar mass
- 70.09 g/mol
- Monoisotopic mass
- 70.04186481
Overview
structure in first source
Names & identifiers
- Preferred name
- 3-Butyn-2-ol
- IUPAC
- but-3-yn-2-ol
- English name
- 3-Butyn-2-ol
- Molecular formula
- C4H6O
- Molecular weight
- 70.09
Names & synonyms
3-Butyn-2-ol2028-63-9MethylethynylcarbinolRefChem:499531217-978-1but-3-yn-2-ol3-Butyne-2-ol1-BUTYN-3-OL1-Methylpropargyl alcohol3-Hydroxy-1-butyne1-Ethynylethanol1-Methyl-2-propynyl alcohol
Show more names
Butynol3-butyn-2-0l3-Bytyn-2-ol3-Butyne-2-Ol98%3-Butyn-2-ol,97%3-Butyn-2-ol >(R)-3-BUTYNE-2-OL
65337-13-5MFCD00004541Ethynylmethylcarbinol(+/-)-3-butyn-2-ol.alpha.-Methylpropargyl alcohol(R)-(+)-1-Butyn-3-olalpha-Methylpropargyl alcoholdl-3-butyn-2-ol
Database identifiers
- CAS
2028-63-9- PubChem CID
- 16239
- DTXSID
DTXSID3022297- EC Number
- 217-978-1
- Nikkaji
- J65.780H
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 57.3
Experimental & physicochemical properties
PolymersOther Classes -> Alcohols and Polyols, Other
Physical DescriptionColorless or light yellow liquid; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- -1.5 °C · -1.5°C
- alpha
- 0 ° · 0°(c=1, CHCl3)
- Boiling point
- 66 · 66-67 °C/150 mmHg (lit.)
- Density
- 0.894 g/mL · 0.894 g/mL at 25 °C (lit.)
- vapor pressure
- 11 hPa · 11hPa at 20℃
- refractive index
- 20 · n20/D 1.426(lit.)
- Flash point
- 78 °F · 78 °F
- storage temp.
- Flammables area
- Water Solubility
- Completely miscible in water
- pka
- 13.28 · 13.28±0.20(Predicted)
- form
- Liquid
- Specific Gravity
- 0.894 · 0.894
- color
- Clear colorless to light yellow
- BRN
- 635722 · 635722
- InChI
- 1S/C4H6O/c1-3-4(2)5/h1,4-5H,2H3
- InChIKey
- GKPOMITUDGXOSB-UHFFFAOYSA-N
- SMILES
- CC(O)C#C
- LogP
- 1.1 at · 1.1 at 35℃
- CAS DataBase Reference
- 2028 · 2028-63-9(CAS DataBase Reference)
- NIST Chemistry Reference
- 3 · 3-Butyn-2-ol(2028-63-9)
- EPA Substance Registry System
- 3 · 3-Butyn-2-ol (2028-63-9)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS06
- Signal word
- Danger
- Hazard statements
- 300 · H300-H315-H319-H226
- Precautionary statements
- 501 · P501-P270-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P301+P310+P330-P403+P235-P405
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- T,F
- Risk Statements
- 10 · 10-25-36/38-36/37/38-24/25
- Safety Statements
- 26 · 26-45-36/37/39-16
- RIDADR
- 2929 · UN 2929 6.1/PG 2
- WGK Germany
- 3 · 3
- RTECS
- 709800 · ES0709800
- F
- 10 · 10
- Hazard Note
- Irritant
- TSCA
- TSCA listed
- HazardClass
- 6.1 · 6.1
- PackingGroup
- II
- HS Code
- 29052900 · 29052900
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 2 DermalAcute · Acute Tox. 2 DermalAcute Tox. 2 InhalationAcute Tox. 2 OralAquatic Chronic 3Eye Dam. 1Flam. Liq. 2Self-react. GSkin Irrit. 2
- REACH Registrations
- Active
- Limited Quantities
- 100 ml · 100ml (liquid) or 0.5 Kg (solid)
- Excepted Quantities
- Max Inner Pack (1g or 1ml) and Max Outer Pack (500g or 500ml)
Safety & regulation
GHS classification
GHS Classification
Danger
H225 (68.8%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P262, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 157 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 3-Butyn-2-ol
Status: Active Update: 04-05-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19561
3-Butyn-2-ol: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazards SummaryA skin and strong eye irritant; Highly toxic by ingestion and skin absorption; Dermal LD50 (rabbit) < 200 mg/kg; [Alfa Aesar MSDS]
Hazard Classes and CategoriesFlam. Liq. 2 (68.8%)
Safety data
- F
- 10
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- ES0709800
- ridadr
- UN 2929 6.1/PG 2
- hs_code
- 29052900
- risk_code
- 10-25-36/38-36/37/38-24/25
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS06
- hazard_code
- T,F
- hazard_note
- Irritant
- safety_code
- 26-45-36/37/39-16
- hazard_class
- 6.1
- Storage Class
- 3 - Flammable liquids
- packing_group
- II
- Hazard statements
- H300-H315-H319-H226
- Limited Quantities
- 100ml (liquid) or 0.5 Kg (solid)
- Excepted Quantities
- Max Inner Pack (1g or 1ml) and Max Outer Pack (500g or 500ml)
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 2 DermalAcute Tox. 2 InhalationAcute Tox. 2 OralAquatic Chronic 3Eye Dam. 1Flam. Liq. 2Self-react. GSkin Irrit. 2
- Precautionary statements
- P501-P270-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P301+P310+P330-P403+P235-P405
Chemistry & industry
Uses & manufacturing
General Manufacturing Information3-Butyn-2-ol: ACTIVE
Applications
Uses3-Butyn-2-ol is an intermediate used to prepare aminoindanes with inhibitory activity toward acetylcholine esterase and monoamine oxidase useful as anti-Alzheimer's agents.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
普洛药业股份有限公司/浙江横店普洛进出口有限公司+86-0571-87635730 +86-13588737631
南通润丰石油化工有限公司66017690 19952660367 · [email protected]
邹平创新药业有限公司13561560789 · [email protected]
江苏星科元信息科技有限公司400-605-7200 15335295587
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]
科瑞迪化学400-821-5857 021-64326257 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
江苏普乐司生物科技有限公司0513-66017706 18551496367 · [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]
石家庄斯迪亚诺精细化工有限公司0311-89250318 13582355795 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
杭州东帆化学有限公司86-0571-85151182
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
上海思域化工科技有限公司86-21-34053660 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
北京伊诺凯科技有限公司400-810-7969 010-59572699 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
越林试剂021-62960152 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
金瓯生物医药（南京）有限公司13000000000 · [email protected]
上海熙誉化学科技有限公司021-15000143735 15221126179 · [email protected]
南通嘉星泰生物科技有限公司18795782766 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
康迪斯化工（湖北）有限公司13125172151 · [email protected]
上海嵩爰化工科技有限公司010-1234567 18521000990 · [email protected]
上海有朋化工有限公司021-69005955 13701776567 · [email protected]
上海凯赛化工有限公司021-33516722 13701817765 · [email protected]
上海彤源化工有限公司021-021-69182866 13701855675 · [email protected]
上海蓝润化学有限公司021-69515658 ; 69515628 13701998368 · [email protected]
上海容立化学科技有限公司021-69992220 13701886816 · [email protected]
上海康拓化工有限公司021-69185552 13701777608 · [email protected]
池州凯隆进出口贸易有限公司[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]
Related reactions
132 records
Linked notes
Loading…