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Basic information
- CAS
2764-91-2- Standard SMILES
CCCCCCC=CCCCCCCCc1cccc(O)c1O- InChIKey
GWOCLAPCXDOJRL-UHFFFAOYSA-N- Molecular formula
- C21H34O2
- Average molar mass
- 318.501 g/mol
- Monoisotopic mass
- 318.25588033
Names & identifiers
- Preferred name
- 3-(8-Pentadecenyl)catechol
- IUPAC
- 3-(Pentadec-8-en-1-yl)benzene-1,2-diol
- English name
- Bhilawanol a
- Molecular formula
- C21H34O2
- Molecular weight
- 318.49
Names & synonyms
Bhilawanol aBhilawanol A >=95% (LC/MS-ELSD)3-(8-Pentadecenyl)-1,2-benzenediol1,2-Benzenediol, 3-(8-pentadecenyl)-1,2-Benzenediol, 3-(8-pentadecen-1-yl)-
Database identifiers
- CAS
2764-91-2- PubChem CID
- 115259
- DTXSID
DTXSID601310903- EC Number
- 803-511-4
Properties
Physicochemical properties
- storage temp.
- -20 °C · -20°C
- form
- solid
- Major Application
- metabolomicsvitamins, nutraceuticals, and natural products
- InChI
- 1S/C21H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(22)21(19)23/h7-8,15,17-18,22-23H,2-6,9-14,16H2,1H3/b8-7+
- InChIKey
- GWOCLAPCXDOJRL-BQYQJAHWSA-N
- SMILES
- CCCCCC\C=C\CCCCCCCc1cccc(O)c1O
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 6 ZV92GML86 · 6ZV92GML86
- UNSPSC Code
- 12352205 · 12352205
- NACRES
- 25 · NA.25
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H317-H318
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-41-43
- Safety Statements
- 26 · 26-36/37/39
- WGK Germany
- 3 · 3
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Dam. 1Skin Sens. 1
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- risk_code
- 22-41-43
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xn
- safety_code
- 26-36/37/39
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H317-H318
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Skin Sens. 1
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Usesmetabolomicsvitamins, nutraceuticals, and natural products
Suppliers4 total
Aladdin Scientific[email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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