2-Benzylheptan-1-ol
Basic information
- CAS
92368-90-6- Standard SMILES
CCCCCC(CO)Cc1ccccc1- InChIKey
CGMOOAUESLSUKM-UHFFFAOYSA-N- Molecular formula
- C14H22O
- Average molar mass
- 206.32 g/mol
- Monoisotopic mass
- 206.16706532
Overview
structure in first source
Names & identifiers
- Preferred name
- 2-Benzylheptan-1-ol
- IUPAC
- 2-benzylheptan-1-ol
- English name
- 2-benzylheptanol
- Molecular formula
- C14H22O
- Molecular weight
- 206.32
Names & synonyms
2-Benzylheptanol2-benzylheptan-1-ol92368-90-6Benzenepropanol, beta-pentyl-344745V05RJASMOL 613148DTXSID20869095RefChem:465691DTXCID50817125296-229-0Amyl hydrocinnamyl alcoholBenzenepropanol, .beta.-pentyl-
Show more names
2-Benzyl-1-heptanolBenzenepropanol, β-pentyl-beta-pentyl-benzenepropano
EINECS 296-229-0alpha-Pentyl-hydrocinnamic alcohol2-benzyl heptanolUNII-344745V05RSCHEMBL1114551-HEPTANOL, 2-BENZYL-3-PHENYL-2-PENTYLPROPANOLCGMOOAUESLSUKM-UHFFFAOYSA-N
Database identifiers
- CAS
92368-90-6- PubChem CID
- 64916
- DTXSID
DTXSID20869095- UNII
- 344745V05R
- EC Number
- 296-229-0
- Nikkaji
- J71.667G
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 7
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 138
Experimental & physicochemical properties
FragrancesFragrance Ingredient (2-Benzylheptanol) -> IFRA transparency List
Physicochemical properties
- Boiling point
- 299.8 ℃[at · 299.8℃[at 101 325 Pa]
- Density
- 0.941 · 0.941[at 20℃]
- vapor pressure
- 7 Pa · 7Pa at 20℃
- Water Solubility
- 29.6 mg/L · 29.6mg/L at 20℃
- Cosmetics Ingredients Functions
- FRAGRANCEPERFUMING
- LogP
- 4 at · 4 at 23.7℃
- FDA UNII
- 344745 V05R · 344745V05R
- EPA Substance Registry System
- Benzenepropanol, .beta.-pentyl- (92368-90-6)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 411 · H411-H315
- Precautionary statements
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
H319 (13.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P351+P338, P337+P317, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 288 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Benzenepropanol, .beta.-pentyl-
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: 2-benzylheptanol (EC: 296-229-0)
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazard Classes and CategoriesEye Irrit. 2 (13.2%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H411-H315
- REACH Registrations
- Active
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Uses & manufacturing
Household ProductsInformation on 15 consumer products that contain 2-Benzylheptanol in the following categories is provided:
Use ClassificationFragrance Ingredients
General Manufacturing InformationBenzenepropanol, .beta.-pentyl-: ACTIVE
Suppliers
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Related reactions
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Compound notes
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