Basic information
- CAS
5048-30-6- Standard SMILES
C=CCCCCCOC(C)=O- InChIKey
GNEUVQRNOYJQLS-UHFFFAOYSA-N- Molecular formula
- C9H16O2
- Average molar mass
- 156.22 g/mol
- Monoisotopic mass
- 156.11502975
Names & identifiers
- Preferred name
- 6-Heptenyl acetate
- IUPAC
- hept-6-enyl acetate
- English name
- 7-Acetoxy-1-heptene
- Molecular formula
- C9H16O2
- Molecular weight
- 156.22
Names & synonyms
6-Heptenyl acetate5048-30-6DTXSID40336951RefChem:1073963DTXCID102880397-Acetoxy-1-heptenehept-6-enyl acetatehept-6-en-1-yl acetateMFCD00191656Acetic Acid 6-Heptenyl EsterSCHEMBL2837462GNEUVQRNOYJQLS-UHFFFAOYSA-
Show more names
6-HeptenylAcetate>6-HEPTEN-1-YL ACETATE6-Hepten-1-ol, 1-acetateACETIC ACID 6-HEPTEN-1-YL ESTER7-Acetoxy-1-heptene Acetic Acid 6-Heptenyl Ester
GNEUVQRNOYJQLS-UHFFFAOYSA-NAcetic acid 6-heptene-1-yl-esterAKOS016017170SY054494DB-318234CS-0453043H0849F200656
Database identifiers
- CAS
5048-30-6- PubChem CID
- 537537
- DTXSID
DTXSID40336951- Nikkaji
- J1.387.538C
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 119
Physicochemical properties
- Boiling point
- 74 °C · 74 °C / 11.3mmHg
- Density
- 0.89 · 0.89
- refractive index
- 1.426 · 1.4260-1.4290
- form
- clear liquid
- color
- Colorless to Light yellow
- Signal word
- Warning
- Hazard statements
- 227 · H227
- Precautionary statements
- 210 · P210-P280-P370+P378-P403+P235-P501
- HS Code
- 2915.39 · 2915.39.9000
Safety & regulation
Safety data
- hs_code
- 2915.39.9000
- Signal word
- Warning
- Hazard statements
- H227
- Precautionary statements
- P210-P280-P370+P378-P403+P235-P501
Chemistry & industry
Suppliers19 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [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]
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]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
郑州九亿时光新材料有限公司+86-15225627621 +86-13213167925 · [email protected]
上海麦克林生化科技股份有限公司50706066 15221275939 · [email protected]
上海贤鼎生物科技有限公司021-021-52271985 17721149837 · [email protected]
Related reactions
1 records
Compound notes
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