Basic information
- CAS
670241-72-2- Standard SMILES
CC(C)CCCCCCOC(=O)c1ccccc1- InChIKey
BBVARVTURNYWGV-UHFFFAOYSA-N- Molecular formula
- C16H24O2
- Average molar mass
- 248.36 g/mol
Names & identifiers
- Preferred name
- Nonylbenzoate, branched and linear
- IUPAC
- 7-methyloctyl benzoate
- English name
- Benzoesure-isononylester
- Molecular weight
- 0
Names & synonyms
Nonylbenzoate, branched and linearRefChem:854650447-010-5Isononyl BenzoateBenzoesure-isononylesterSCHEMBL20606290Vestinol(R) INBBenzoic acid isononyl esterbenzenemacetic acidnonyl ester(iso)
Database identifiers
- CAS
670241-72-2- PubChem CID
- 53673956
- EC Number
- 447-010-5
- Nikkaji
- J1.054.307J
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 217
Physicochemical properties
- Density
- 0.959 · 0.959[at 20℃]
- vapor pressure
- 0.024 Pa · 0.024Pa at 20℃
- Water Solubility
- 1 mg/L · 1mg/L at 20℃
- LogP
- 6.25 at · 6.25 at 20℃
- EPA Substance Registry System
- Benzoic acid, nonyl ester, branched and linear (670241-72-2)
- Symbol(GHS)
- 9 · GHS09
- Hazard statements
- 411 · H411
- TSCA
- TSCA listed
- REACH Registrations
- Inactive
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
Warning
H361 (50%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]
P203, P273, P280, P318, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationStatus: Active Update: 29-03-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/4282
Hazard Classes and CategoriesRepr. 2 (50%)
Safety data
- tsca
- TSCA listed
- Symbol(GHS)
- GHS09
- Hazard statements
- H411
- REACH Registrations
- Inactive
Chemistry & industry
Suppliers8 total
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
深圳市倍素特科技有限公司[email protected] · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
济南利恒生物科技有限公司0531-18763987518 18763987518 · [email protected]
ANHUI WITOP BIOTECH CO., LTD+8618071025641 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
3 records
Compound notes
Loading…