Basic information
- CAS
3121-70-8- Standard SMILES
CCCC(=O)Oc1cccc2ccccc12- InChIKey
XIVJNRXPRQKFRZ-UHFFFAOYSA-N- Molecular formula
- C14H14O2
- Average molar mass
- 214.26 g/mol
- Monoisotopic mass
- 214.09937969
Names & identifiers
- Preferred name
- alpha-Naphthyl butyrate
- IUPAC
- naphthalen-1-yl butanoate
- English name
- 1-NAPHTHYL BUTYRATE
- Molecular formula
- C14H14O2
- Molecular weight
- 214.26
Names & synonyms
1-Naphthyl butyrate3121-70-8alpha-Naphthyl butyrateButyric acid, 1-naphthyl esteralpha-Naphthyl-n-butyrateButanoic acid, 1-naphthalenyl ester9UZL9U0CIKNSC-97269DTXSID9062851RefChem:111355DTXCID7038313221-500-7
Show more names
1-napthyl butyrate1-NAPHTHYLBUTYRAT1-phthyl butyrateA-NAPHTHYL BUTYRATE1-NAPHTHYL N-BUTYRATE1-Naphthyl Butyrate >Naphthalen-1-yl butyrate
Naphthalen-1-yl butyratenaphthalen-1-yl butanoate.alpha.-Naphthyl butyrateMFCD00003923.alpha.-Naphthyl-n-butyrateButyric acid 1-naphthyl ester1-naphthyl butanoateUNII-9UZL9U0CIK
Database identifiers
- CAS
3121-70-8- PubChem CID
- 76571
- DTXSID
DTXSID9062851- UNII
- 9UZL9U0CIK
- EC Number
- 221-500-7
- Nikkaji
- J208.090G
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 237
Physicochemical properties
- Melting point
- 95.5 · 95.5-96.5 °C
- Boiling point
- 125 · 125-130 °C1 mm Hg(lit.)
- Density
- 1.091 g/mL · 1.091 g/mL at 20 °C(lit.)
- refractive index
- 20 · n20/D 1.571(lit.)
- Flash point
- 144 °F · 144 °F
- storage temp.
- -20 °C · -20°C
- solubility
- 100 mg/mL, · ethanol: 100mg/mL, clear, colorless to faintly yellow
- form
- Liquid
- color
- Clear yellow
- BRN
- 2558646 · 2558646
- InChI
- 1S/C14H14O2/c1-2-6-14(15)16-13-10-5-8-11-7-3-4-9-12(11)13/h3-5,7-10H,2,6H2,1H3
- InChIKey
- XIVJNRXPRQKFRZ-UHFFFAOYSA-N
- SMILES
- CCCC(=O)Oc1cccc2ccccc12
- LogP
- 3.856 · 3.856 (est)
- CAS DataBase Reference
- 3121 · 3121-70-8(CAS DataBase Reference)
- FDA UNII
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
Regulatory Information
Chemical: Butanoic acid, 1-naphthalenyl ester
Butanoic acid, 1-naphthalenyl ester: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- PPE
- Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- NA 1993 / PGIII
- hs_code
- 29156000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 23-24/25
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H227
- Precautionary statements
- P210-P280-P370+P378-P403+P235-P501-P210e-P280a-P370+P378a-P501a
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationButanoic acid, 1-naphthalenyl ester: INACTIVE
Applications
Uses1-Naphthyl butyrate has been used as a substrate for esterase activity in sheep body louse Bovicola ovis and in chromogenic staining of flounder fish samples.
Suppliers60 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
上海康朗生物科技有限公司021-61998208 18217752821 · [email protected]
上海哲研生物科技有限公司021-18017610038 18017610038 · [email protected]
上海如吉生物科技发展有限公司+86-21-65211385-8001 36031160 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [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]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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