Basic information
- CAS
3739-64-8- Standard SMILES
C=CCOCCCC- InChIKey
IBTLFDCPAJLATQ-UHFFFAOYSA-N- Molecular formula
- C7H14O
- Average molar mass
- 114.19 g/mol
- Monoisotopic mass
- 114.10446507
Names & identifiers
- Preferred name
- 1-(Allyloxy)butane
- IUPAC
- 1-prop-2-enoxybutane
- English name
- Allyl butyl ether
- Molecular formula
- C7H14O
- Molecular weight
- 114.19
Names & synonyms
3739-64-81-(Allyloxy)butaneButane, 1-(2-propenyloxy)-EINECS 223-122-8AI3-18265DTXSID10190825RefChem:426937DTXCID50113316223-122-8Allyl butyl ether1-prop-2-enoxybutaneButyl allyl ether
Show more names
Allyl butyl ethe3-Butoxy-1-propene3-butoxyprop-1-eneAllyl Butyl Ether >
Ether, allyl butyl1-(prop-2-en-1-yloxy)butaneAllyl n-butyl etherMFCD000094603-Butoxy-1-propene #Allyl butyl ether, 98%SCHEMBL42944AKOS015912465
Database identifiers
- CAS
3739-64-8- PubChem CID
- 77332
- DTXSID
DTXSID10190825- UNII
- BU7AYX8GQV
- EC Number
- 223-122-8
- Nikkaji
- J38.385F
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 50.3
Physicochemical properties
- Boiling point
- 117 · 117-118 °C
- Density
- 0.783 g/mL · 0.783 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.406(lit.)
- Flash point
- 58 °F · 58 °F
- storage temp.
- 2 · 2-8°C, sealed storage, away from moisture
- form
- clear liquid
- color
- Colorless to Almost colorless
- Specific Gravity
- 0.79 · 0.79
- BRN
- 1699588 · 1699588
- InChI
- 1S/C7H14O/c1-3-5-7-8-6-4-2/h4H,2-3,5-7H2,1H3
- InChIKey
- IBTLFDCPAJLATQ-UHFFFAOYSA-N
- SMILES
- CCCCOCC=C
- UNSPSC Code
- 12162002 · 12162002
- NACRES
- 23 · NA.23
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Danger
- Hazard statements
- 225 · H225-H315-H319-H335
- Precautionary statements
- 210 · P210-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- F,Xi
- Risk Statements
- 11 · 11-36/37/38
- Safety Statements
- 16 · 16-26-36
- RIDADR
- 3271 · UN 3271 3/PG 2
- WGK Germany
- 3 · 3
- HazardClass
- 3.1 · 3.1
- PackingGroup
- II
- HS Code
- 2909199090 · 2909199090
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 2 Flam · Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3
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
Danger
H225 (90.9%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 2 (90.9%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 3271 3/PG 2
- hs_code
- 2909199090
- risk_code
- 11-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- F,Xi
- safety_code
- 16-26-36
- hazard_class
- 3.1
- Storage Class
- 3 - Flammable liquids
- packing_group
- II
- target organs
- Respiratory system
- Hazard statements
- H225-H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P210-P302+P352-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers55 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Nanjing Kaitian Chemical Co., LTD+86-13337816511 +86-13337835376 · [email protected]
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]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Syntechem Co.,Ltd[email protected]
上海拓克化学科技有限公司+86-021-69895597 13776836200 +86-13776836200 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
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广东方信生物科技有限公司0751-2838688 13376594225 · [email protected]
上海泰坦科技股份有限公司4006009262 13023226327 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [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]
成都麦卡希化工有限公司028-85632863 18108198598 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
泰安嘉岳生物化工有限公司15318151873 13561760680 · [email protected]
陕西缔都医药化工有限公司+86-029-81138252 +86-173 9270 1263 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
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上海麦克林生化科技股份有限公司15221275939 15221275939 · [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]
Henan Alfa Chemical Co., Ltd+8618339805032 · [email protected]
泰安嘉岳生物化工有限公司15318151873 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
山东西亚化学有限公司4009903999 13395398332 · [email protected]
广州市金华大化学试剂有限公司020-84383047 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
Shanghai Daken Advanced Materials Co.,Ltd+86-2158073036 · [email protected]
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
武汉赢元贝商贸有限公司86-13349903920 13349903920 · [email protected]
TCI Chemicals (India) Pvt. Ltd.[email protected]
Aladdin Scientific[email protected]
湖北达豪化工有限公司027-59106191 13986034860 · [email protected]
上海迈瑞尔生化科技有限公司18621169109 · [email protected]
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北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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