Rhodinol

HCID 81263
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Substructure searchFind similar structures

Basic information

CAS
6812-78-8
Standard SMILES
C=C(C)CCC[C@H](C)CCO
InChIKey
JGQFVRIQXUFPAH-JTQLQIEISA-N
Molecular formula
C10H20O
Average molar mass
156.26 g/mol
Monoisotopic mass
156.15141526

Names & identifiers

Preferred name
Rhodinol
IUPAC
(3S)-3,7-dimethyloct-7-en-1-ol
English name
RHODINOL
Molecular formula
C10H20O
Molecular weight
156.27

Names & synonyms

Rhodinol6812-78-8(-)-Rhodinol(-)-alpha-citronellolFEMA No. 29807-Octen-1-ol, 3,7-dimethyl-, (3S)-1V437W60X9(S)-ALPHA-CITRONELLOL(S)-3,7-DIMETHYL-7-OCTENOLDTXCID9027233RefChem:1098082205-473-9
Show more names
FEMA 2980Rose alcoholRosiolRhobinolRHODINOL GRHODINOL 70(S)-rhodinol3(S)-Citronelolalpha-Citronellol
229-887-4DTXSID2047193(3S)-3,7-dimethyloct-7-en-1-ol7-Octen-1-ol, 3,7-dimethyl-, (S)-(3S)-3,7-Dimethyl-7-octen-1-ol(S)-3,7-Dimethyl-7-octen-1-ol(S)-3,7-dimethyloct-7-en-1-ol7-Octen-1-ol,3,7-dimethyl-, (3S)-

Database identifiers

CAS
6812-78-8
PubChem CID
81263
DTXSID
DTXSID1047233
ChEMBL
CHEMBL3182701
UNII
1V437W60X9
EC Number
229-887-4
Nikkaji
J40.457H

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
6
Heavy atoms
11

Experimental & physicochemical properties

FragrancesFragrance Ingredient (Rhodinol) -> IFRA transparency List
Food AdditivesANTIOXIDANT, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.860-0.880
Flavoring AgentsEU Flavoring substances
Solubility · 2 items

Insoluble in glycerol, water; soluble in most fixed oils, propylene glycol

soluble (in ethanol)

Boiling Point132-135 °C (4 mm Hg)

Physicochemical properties

Melting point
-4.05 °C · -4.05°C (estimate)
Boiling point
68 · 68-70 °C1.8 mm Hg(lit.)
alpha
20 · D20 -2.88°
Density
0.865 g/mL · 0.865 g/mL at 25 °C(lit.)
refractive index
20 · n20/D 1.469(lit.)
FEMA
2980 · 2980 | RHODINOL

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P272, P280, P302+P352, P305+P354+P338, P317, P321, P332+P317, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1496 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 3 items

Chemical: 7-Octen-1-ol, 3,7-dimethyl-, (S)-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

7-Octen-1-ol, 3,7-dimethyl-, (3S)-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - 7-Octen-1-ol, 3,7-dimethyl-, (S)-: Environment tier I assessment
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

wgk
2
tsca
TSCA listed
rtecs
RH3410000
Signal word
Danger
Symbol(GHS)
GHS07,GHS05
hazard_code
Xi

Chemistry & industry

Uses & manufacturing

Use Classification · 5 items

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing Information7-Octen-1-ol, 3,7-dimethyl-, (3S)-: ACTIVE

Applications

UsesIn perfumery. See also b-Citronellol.

Preparation methods

PreparationBy fractional distillation of Réunion geranium oil.

Suppliers34 total

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
江苏豪隆化工有限公司0513-89083520 13328092525 · [email protected]

Related reactions

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Compound notes

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