Basic information
- CAS
1002-36-4- Standard SMILES
CCCCC#CCO- InChIKey
OGDYROFIIXDTQK-UHFFFAOYSA-N- Molecular formula
- C7H12O
- Average molar mass
- 112.17 g/mol
- Monoisotopic mass
- 112.088815
Names & identifiers
- Preferred name
- 2-Heptyn-1-ol
- IUPAC
- hept-2-yn-1-ol
- English name
- 2-Heptyn-1-ol
- Molecular formula
- C7H12O
- Molecular weight
- 112.17
Names & synonyms
2-Heptyn-1-ol1002-36-4RefChem:472846600-040-4hept-2-yn-1-olMFCD000395412-Heptyn-1-ol, 97%SCHEMBL329261HOCH2C=C(CH2)3CH3DTXSID10905254AKOS015837603FS-4400
Show more names
2-Heptyne-1-ol2-Heptyn-1-ol>2-Heptyn-1-ol 97%2-Heptyn-1-ol,97%TIMTEC-BB SBB0087962-HEPTYN-1-OL (0.47 KGS)2-heptyne-1-osmium alcohol2-Methyl-168-nitrobenzyl&chloride
H0456D908772-Heptynol; 3-Butylpropargyl Alcohol2-heptynol2-heptyFT-0612488A800077SCHEMBL329260
Database identifiers
- CAS
1002-36-4- PubChem CID
- 535111
- DTXSID
DTXSID10905254- EC Number
- 600-040-4
- Nikkaji
- J126.446J
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 93.4
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Melting point
- -35.25 °C · -35.25°C (estimate)
- Boiling point
- 89 · 89-90 °C/16 mmHg (lit.)
- Density
- 0.88 g/mL · 0.880 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.455(lit.)
- Flash point
- 172 °F · 172 °F
- storage temp.
- 2 · 2-8°C
- form
- Liquid
- pka
- 13.02 · 13.02±0.10(Predicted)
- color
- Clear colorless to yellow
- BRN
- 1739001 · 1739001
- InChI
- InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h8H,2-4,7H2,1H3
- InChIKey
- OGDYROFIIXDTQK-UHFFFAOYSA-N
- SMILES
- C(O)C#CCCCC
- CAS DataBase Reference
- 1002 · 1002-36-4(CAS DataBase Reference)
- EPA Substance Registry System
- 2 · 2-Heptyn-1-ol (1002-36-4)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 8 · GHS08,GHS09
- Signal word
- Danger
- Hazard statements
- 334 · H334-H411
- Precautionary statements
- 273 · P273
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi,Xn
- Risk Statements
- 43 · 43-36/37/38-22
- Safety Statements
- 37 · 37/39-26
- RIDADR
- 1987 · 1987
- WGK Germany
- 3 · 3
- HazardClass
- CBL
- HS Code
- 29052900 · 29052900
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 2 Resp · Aquatic Chronic 2Resp. Sens. 1
- Excepted Quantities
- Non-Hazardous
Safety & regulation
GHS classification
GHS Classification
Danger
H334 (97.5%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]
P233, P260, P271, P284, P304+P340, P342+P316, P403, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesResp. Sens. 1 (97.5%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- 1987
- hs_code
- 29052900
- risk_code
- 43-36/37/38-22
- Signal word
- Danger
- Symbol(GHS)
- GHS08,GHS09
- hazard_code
- Xi,Xn
- safety_code
- 37/39-26
- hazard_class
- CBL
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H334-H411
- Excepted Quantities
- Non-Hazardous
- Hazard Classifications
- Aquatic Chronic 2Resp. Sens. 1
- Precautionary statements
- P273
Chemistry & industry
Applications
Uses2-Heptyn-1-ol can be used to prepared to use as industrial microbicides.
Upstream & downstream products
Downstream products
Suppliers61 total
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]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]
上海泰矶林实业有限公司02150630626 17717886015 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
南通萧畅医药贸易有限公司0513-82104991 18862997351 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
上海颖心实验室设备有限公司021-59178156 17002132182 · [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]
广东云星生物技术有限公司0751-18902340975/189023400307 18902340307 · [email protected]
上海泰坦科技股份有限公司400-6009262 15618770481 · [email protected]
湖北魏氏化学试剂股份有限公司17771898297 13125137661 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
Shanghai Hanhong Scientific Co., Ltd.+undefined17612118332 · [email protected]
广东顺奥化学试剂有限公司19928586137 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
安徽科迪达化工有限公司0554-2106669 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
康迪斯化工（湖北）有限公司13125172151 · [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]
康迪斯化工(湖北)有限公司13343438265 · [email protected]
Henan Alfa Chemical Co., Ltd+8618339805032 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
上海麦克林生化科技股份有限公司50706066 15221275939 · [email protected]
广东翁江化学试剂有限公司0751-2886750 13927877953 · [email protected]
上海巍涛化工有限公司02150630626 17717886015 · [email protected]
泰安市嘉叶生物科技有限公司15318151873;13127280945 · [email protected]
山东小野化学股份有限公司0539-6362799 20）
上海泰坦科技股份有限公司18616708014 · [email protected]
湖北东曹化学科技有限公司027-83238443 13343438265 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
南京合巨药业有限公司025-57027686 17372956142 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
北京迈瑞达科技有限公司010-82387566 · [email protected]
TCI Chemicals (India) Pvt. Ltd.[email protected]
嘉兴瑞恒生物科技有限公司0573-0573-82672231 13757365595 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
Related reactions
5 records
Compound notes
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