Basic information
- CAS
17610-20-7- Standard SMILES
Cc1cc2c(cc1C=O)C(C)(C)CCC2(C)C- InChIKey
JEJZFUVABODMHT-UHFFFAOYSA-N- Molecular formula
- C16H22O
- Average molar mass
- 230.34 g/mol
- Monoisotopic mass
- 230.16706532
Names & identifiers
- Preferred name
- 3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-2-naphthalenecarboxaldehyde
- IUPAC
- 3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbaldehyde
- English name
- 3,5,5,8,8-PENTAMETHYL-5,6,7,8-TETRAHYDRO-2-NAPHTHALENECARBOXALDEHYDE
- Molecular formula
- C16H22O
- Molecular weight
- 230.35
Names & synonyms
3,5,5,8,8-PENTAMETHYL-5,6,7,8-TETRAHYDRO-2-NAPHTHALENECARBOXALDEHYDERefChem:486451660-853-517610-20-73,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbaldehyde2-Naphthalenecarboxaldehyde,5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-MFCD001568975,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenecarboxaldehyde1,1,4,4,7-Pentamethyltetralin-6-carbaldehydeNSC17410SCHEMBL4666462
Show more names
3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalene-2-carbaldehy5,6,7,8-tetrahydro-3,5,5,8,8-pentamethylnaphthalene-2-carbaldehyde
SCHEMBL8521714DTXSID30280550JEJZFUVABODMHT-UHFFFAOYSA-NNSC-17410AKOS022181855SY405930CS-0529401F79785
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 303
Physicochemical properties
- Boiling point
- 324 · 324.0±31.0 °C(Predicted)
- Density
- 0.955 · 0.955±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers12 total
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
绵阳凯新医药科技有限公司816-816-2551723 18681628050 · [email protected]
Shanghai Hanhong Scientific Co., Ltd.+undefined17612118332 · [email protected]
郑州九亿时光新材料有限公司+86-15225627621 +86-13213167925 · [email protected]
上海索本生物科技有限公司15088289376;13917786310 · [email protected]
上海肯恩化学科技有限公司13701870891; 02152215958 · [email protected]
杭州陶瑞生物科技有限公司QQ1259737804 15268198094 · [email protected]
陕西国槐硕海医药科技有限公司029-13279368192 13279368192 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Chemtour Biotech Co., Ltd[email protected]
山东彬睿特新材料有限公司0533-2866658 15615638350 · [email protected]
Related reactions
5 records
Compound notes
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